<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">309342</id>
  <title nil="true"/>
  <common-name>2-[(e)-1-(1-cyclohexyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine</common-name>
  <description>2-[(e)-1-(1-cyclohexyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine is a chemical compound with the formula C17H26N6O3. It has an average molecular weight of 362.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>9578676</pubchem-id>
  <chemical-formula>C17H26N6O3</chemical-formula>
  <weight>362.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-29T03:49:07Z</created-at>
  <updated-at type="dateTime">2026-08-29T03:49:07Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(=NN=C(N)N)CC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)CC=C</moldb-smiles>
  <moldb-formula>C17H26N6O3</moldb-formula>
  <moldb-inchi>InChI=1S/C17H26N6O3/c1-3-9-17(10-11(2)21-22-15(18)19)13(24)20-16(26)23(14(17)25)12-7-5-4-6-8-12/h3,12H,1,4-10H2,2H3,(H4,18,19,22)(H,20,24,26)/b21-11+</moldb-inchi>
  <moldb-inchikey>PNHCDWRDONHTKM-SRZZPIQSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">362.2066387</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM305235</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[(e)-1-(1-cyclohexyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Diazines</klass>
  <subklass>Pyrimidines and pyrimidine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0260339</sync-id>
  <structure-inchikey>PNHCDWRDONHTKM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000800000000000000800200000000000000000880000010000000000000020040000010000000000000000002000000000000000000000000000000000000000000000000004000020000000000200004004000100000000000000010000000000000000000020040000020108000000000000000000500800000048000000000000201000000000001000000000000000000000000000000000000004000010001200080000000000000000810000000000000000000000000200000000000000000000040000000000000000000000000000000000000000020200000080000000000100024020000000000000000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������(�������h��������h��������`������� ������(�������(�������h��������(�������(�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������h��������h������������(��� ��(��� �� �������	�	
(�	� �� �(��� �� ��(�����������������������������������B����������	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:03Z</structure-indexed-at>
</compound>
