3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide Openeye Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(5-sulfamoyl-2-thienyl)methyl]propanamide CAS Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(5-sulfamoyl-2-thiophenyl)methyl]propanamide IUPAC Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(5-sulfamoyl-2-thienyl)methyl]propionamide Formula: C19H18N6O4S2 MolecularWeight: 458.51402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NCC4=CC=C(S4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NCC4=CC=C(S4)S(=O)(=O)N

InChI

InChI=1S/C19H18N6O4S2/c20-31(28,29)17-9-6-13(30-17)10-21-16(26)8-7-15-23-18-14(19(27)24-15)11-22-25(18)12-4-2-1-3-5-12/h1-6,9,11,22H,7-8,10H2,(H,21,26)(H2,20,28,29)