N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H22N6O4S/c1-12-5-6-13(29(27,28)22(2)3)9-15(12)21-16(25)7-8-24-11-19-17-14(18(24)26)10-20-23(17)4/h5-6,9-11H,7-8H2,1-4H3,(H,21,25)