1-(3,4-dimethylphenyl)-6-(diphenylmethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3,4-dimethylphenyl)-6-(diphenylmethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzhydrylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-[(diphenylmethyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzhydrylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(benzhydrylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SC(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SC(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H22N4OS/c1-17-13-14-21(15-18(17)2)30-24-22(16-27-30)25(31)29-26(28-24)32-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23,27H,1-2H3