3-azanyl-1-methyl-5-(4-methylphenyl)-6-[(4-methylphenyl)amino]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-1-methyl-5-(4-methylphenyl)-6-[(4-methylphenyl)amino]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-1-methyl-6-(4-methylanilino)-5-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-1-methyl-6-(4-methylanilino)-5-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-amino-1-methyl-6-(4-methylanilino)-5-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-1-methyl-6-(p-toluidino)-5-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=C(C(=NN3C)N)C(=O)N2C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=C(C(=NN3C)N)C(=O)N2C4=CC=C(C=C4)C

InChI

InChI=1S/C20H20N6O/c1-12-4-8-14(9-5-12)22-20-23-18-16(17(21)24-25(18)3)19(27)26(20)15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H2,21,24)(H,22,23)