2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[(3-allyl-4-amino-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[(3-allyl-4-amino-6-keto-1H-pyrimidin-3-ium-2-yl)thio]-N-(4-sulfamoylphenyl)acetamide Formula: C15H18N5O4S2+ MolecularWeight: 396.46452

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(NC(=O)C=C1N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C=CC[N+]1=C(NC(=O)C=C1N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H17N5O4S2/c1-2-7-20-12(16)8-13(21)19-15(20)25-9-14(22)18-10-3-5-11(6-4-10)26(17,23)24/h2-6,8H,1,7,9H2,(H5,16,17,18,21,22,23,24)/p+1