2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)acetamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N

InChI

InChI=1S/C20H21N5O4S2/c21-17-12-18(26)24-20(25(17)11-10-14-4-2-1-3-5-14)30-13-19(27)23-15-6-8-16(9-7-15)31(22,28)29/h1-9,12H,10-11,13,21H2,(H,23,27)(H2,22,28,29)