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

Systemtic Name: 3-azanyl-5-(3,4-dimethylphenyl)-1-ethanoyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-acetyl-3-amino-5-(3,4-dimethylphenyl)-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-acetyl-3-amino-5-(3,4-dimethylphenyl)-6-[4-(methylthio)phenyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-acetyl-3-amino-5-(3,4-dimethylphenyl)-6-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-acetyl-3-amino-5-(3,4-dimethylphenyl)-6-[4-(methylthio)phenyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-12-5-8-16(11-13(12)2)26-20(15-6-9-17(30-4)10-7-15)24-21-18(22(26)29)19(23)25-27(21)14(3)28/h5-11H,1-4H3,(H2,23,25)