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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CCCCNC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C28H27N5OS/c1-2-3-19-29-28-30-25-24(27(34)32(28)22-15-9-5-10-16-22)26(35-20-21-13-7-4-8-14-21)31-33(25)23-17-11-6-12-18-23/h4-18H,2-3,19-20H2,1H3,(H,29,30)