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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(methylsulfamoyl)phenyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(methylsulfamoyl)phenyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[3-(methylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(methylsulfamoyl)phenyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(methylsulfamoyl)phenyl]propionamide Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C16H18N6O4S/c1-17-27(25,26)12-5-3-4-11(8-12)20-14(23)6-7-22-10-18-15-13(16(22)24)9-19-21(15)2/h3-5,8-10,17H,6-7H2,1-2H3,(H,20,23)