347077 <common-name>4,9-dimethyl-3-phenyl-1,7-bis(piperidin-1-ylmethyl)-4h-purino[8,7-c][1,2,4]triazine-6,8-dione</common-name> <description>4,9-dimethyl-3-phenyl-1,7-bis(piperidin-1-ylmethyl)-4h-purino[8,7-c][1,2,4]triazine-6,8-dione is a chemical compound with the formula C27H36N8O2. With an average molecular weight of 504.60 g/mol, 4,9-dimethyl-3-phenyl-1,7-bis(piperidin-1-ylmethyl)-4h-purino[8,7-c][1,2,4]triazine-6,8-dione is a heavy molecule.</description> <cas>106087-45-0</cas> <pubchem-id>3064965</pubchem-id> <chemical-formula>C27H36N8O2</chemical-formula> <weight>504.6</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">2026-08-31T10:43:53Z</created-at> <updated-at type="dateTime">2026-08-31T10:43:53Z</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>CC1C(=NN(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CN4CCCCC4)CN5CCCCC5)C6=CC=CC=C6</moldb-smiles> <moldb-formula>C27H36N8O2</moldb-formula> <moldb-inchi>InChI=1S/C27H36N8O2/c1-20-22(21-12-6-3-7-13-21)29-34(19-32-16-10-5-11-17-32)26-28-24-23(35(20)26)25(36)33(27(37)30(24)2)18-31-14-8-4-9-15-31/h3,6-7,12-13,20H,4-5,8-11,14-19H2,1-2H3</moldb-inchi> <moldb-inchikey>UDUGWGFPLWIWNI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">504.2961224</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM342970</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>4,9-dimethyl-3-phenyl-1,7-bis(piperidin-1-ylmethyl)-4h-purino[8,7-c][1,2,4]triazine-6,8-dione</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>Imidazopyrimidines</klass> <subklass>Purines and purine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0297424</sync-id> <structure-inchikey>UDUGWGFPLWIWNI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000800000000000000000008000000000000000200000000000000000000020000000000000002004000000000000020000000000000480080000000000080000008000000000200020000000000002000000048000000010000000200000000000000000000000000000020100000000000000000000108800000040000000800000000000004000800000000100020000000000000800000000040000000000000400080000000002000080000000008000000000000004004000000000000000000000000000001050008000000001000200000000010000000000000001000040000000000000000000400000000142000020000000</structure-fingerprint> 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