1,5-diphenyl-3-(phenylmethylsulfanyl)-6-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1,5-diphenyl-3-(phenylmethylsulfanyl)-6-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzylsulfanyl-6-(isopropylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1,5-diphenyl-3-(phenylmethylthio)-6-(propan-2-ylamino)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-benzylsulfanyl-1,5-diphenyl-6-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzylthio)-6-(isopropylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CC(C)NC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

InChI

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