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

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

CCN(CC)C1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CCN(CC)C1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C28H27N5OS/c1-3-31(4-2)28-29-25-24(27(34)32(28)22-16-10-6-11-17-22)26(35-20-21-14-8-5-9-15-21)30-33(25)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3