3-azanyl-5-(2,4-dimethylphenyl)-1-methyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-5-(2,4-dimethylphenyl)-1-methyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-5-(2,4-dimethylphenyl)-1-methyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-5-(2,4-dimethylphenyl)-1-methyl-6-[4-(methylthio)phenyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-amino-5-(2,4-dimethylphenyl)-1-methyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-5-(2,4-dimethylphenyl)-1-methyl-6-[4-(methylthio)phenyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C(=NN3C)N)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C(=NN3C)N)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C21H21N5OS/c1-12-5-10-16(13(2)11-12)26-19(14-6-8-15(28-4)9-7-14)23-20-17(21(26)27)18(22)24-25(20)3/h5-11H,1-4H3,(H2,22,24)