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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NC(=O)C=C(N2)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NC(=O)C=C(N2)N)S(=O)(=O)N

InChI

InChI=1S/C13H15N5O4S2/c14-10-5-11(19)18-13(17-10)23-7-12(20)16-6-8-1-3-9(4-2-8)24(15,21)22/h1-5H,6-7H2,(H,16,20)(H2,15,21,22)(H3,14,17,18,19)