2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)propionamide Formula: C13H15N5O4S2 MolecularWeight: 369.4193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H15N5O4S2/c1-7(23-13-17-10(14)6-11(19)18-13)12(20)16-8-2-4-9(5-3-8)24(15,21)22/h2-7H,1H3,(H,16,20)(H2,15,21,22)(H3,14,17,18,19)