5-(2-methylphenyl)-6-[(2-methylphenyl)amino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-methylphenyl)-6-[(2-methylphenyl)amino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(2-methylanilino)-3-methylsulfanyl-5-(o-tolyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(2-methylanilino)-5-(2-methylphenyl)-3-(methylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 6-(2-methylanilino)-5-(2-methylphenyl)-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(methylthio)-6-(o-toluidino)-5-(o-tolyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(C(=NN3C4=CC=CC=C4)SC)C(=O)N2C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(C(=NN3C4=CC=CC=C4)SC)C(=O)N2C5=CC=CC=C5C

InChI

InChI=1S/C26H23N5OS/c1-17-11-7-9-15-20(17)27-26-28-23-22(25(32)30(26)21-16-10-8-12-18(21)2)24(33-3)29-31(23)19-13-5-4-6-14-19/h4-16H,1-3H3,(H,27,28)