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

Systemtic Name: 6-(2-methylpropylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzylsulfanyl-6-(isobutylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(2-methylpropylamino)-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-benzylsulfanyl-6-(2-methylpropylamino)-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzylthio)-6-(isobutylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H27N5OS MolecularWeight: 481.61188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CC(C)CNC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C28H27N5OS/c1-20(2)18-29-28-30-25-24(27(34)32(28)22-14-8-4-9-15-22)26(35-19-21-12-6-3-7-13-21)31-33(25)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,29,30)