3-azanyl-6-(4-methylsulfanylphenyl)-5-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-6-(4-methylsulfanylphenyl)-5-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-5-(4-isopropylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-6-[4-(methylthio)phenyl]-5-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-amino-6-(4-methylsulfanylphenyl)-5-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-6-[4-(methylthio)phenyl]-5-p-cumenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H21N5OS/c1-12(2)13-4-8-15(9-5-13)26-20(14-6-10-16(28-3)11-7-14)23-19-17(21(26)27)18(22)24-25-19/h4-12H,1-3H3,(H3,22,24,25)