1,5-diphenyl-3-(phenylmethylsulfanyl)-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1,5-diphenyl-3-(phenylmethylsulfanyl)-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzylsulfanyl-1,5-diphenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1,5-diphenyl-3-(phenylmethylthio)-6-(propylamino)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-benzylsulfanyl-1,5-diphenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzylthio)-1,5-diphenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CCCNC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C27H25N5OS/c1-2-18-28-27-29-24-23(26(33)31(27)21-14-8-4-9-15-21)25(34-19-20-12-6-3-7-13-20)30-32(24)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3,(H,28,29)