302223 <common-name>2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(thiophen-2-ylmethyl)-1h-pyrimidin-6-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3054539</pubchem-id> <chemical-formula>C16H19N5OS2</chemical-formula> <weight>361.5</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">2026-08-28T19:17:16Z</created-at> <updated-at type="dateTime">2026-08-28T19:17:16Z</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>CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CS3</moldb-smiles> <moldb-formula>C16H19N5OS2</moldb-formula> <moldb-inchi>InChI=1S/C16H19N5OS2/c1-11-14(20-10-19-11)9-23-6-4-17-16-18-8-12(15(22)21-16)7-13-3-2-5-24-13/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,19,20)(H2,17,18,21,22)</moldb-inchi> <moldb-inchikey>BTOWXISBYWBZAB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">361.1031026</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM298116</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-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(thiophen-2-ylmethyl)-1h-pyrimidin-6-one</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>CED0253446</sync-id> <structure-inchikey>BTOWXISBYWBZAB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>204000000000000008000000008010200000001000000080000000000400000002008000000200000000000000021000000000000000000000000000000000000000000000000000000000000000000a0801010000800004000000002002000000000020000002000000000000000000000000000004000000000000000000000000040010000800000200000000880000002000000000000000000800002000000000000000004000000080000000080020000080000000000000000000100000001000000000000010080000000000000040000002000004200000000000000000020010000000040000040000000000000000000000002001000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@h�������@8��������`������� ������`�������`�������h�������@(������@(������@h�������@(������@(�������(������@8��������`������@(������@h�������@h�������@h�������@(�����������h���h���h���h����������� � � � ��h�� h� �h���h���(���h���������h���h���h���h���h���h���h�B������������ ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:11:42Z</structure-indexed-at> </compound>