2-(phenylmethylsulfanyl)-6-piperidin-1-yl-7,9-dihydropurine-8-thione

Systemtic Name: 2-(phenylmethylsulfanyl)-6-piperidin-1-yl-7,9-dihydropurine-8-thione Openeye Name: 2-benzylsulfanyl-6-(1-piperidyl)-7,9-dihydropurine-8-thione CAS Name: 2-(phenylmethylthio)-6-(1-piperidinyl)-7,9-dihydropurine-8-thione IUPAC Name: 2-benzylsulfanyl-6-piperidin-1-yl-7,9-dihydropurine-8-thione Traditional Name: 2-(benzylthio)-6-piperidino-7,9-dihydropurine-8-thione Formula: C17H19N5S2 MolecularWeight: 357.49626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2NC(=S)N3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2NC(=S)N3)SCC4=CC=CC=C4

InChI

InChI=1S/C17H19N5S2/c23-16-18-13-14(19-16)20-17(24-11-12-7-3-1-4-8-12)21-15(13)22-9-5-2-6-10-22/h1,3-4,7-8H,2,5-6,9-11H2,(H2,18,19,20,21,23)