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

Systemtic Name: 1-(3,4-dimethylphenyl)-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-(phenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(benzylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC=C4)C

InChI

InChI=1S/C20H18N4OS/c1-13-8-9-16(10-14(13)2)24-18-17(11-21-24)19(25)23-20(22-18)26-12-15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3