2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(4-sulfamoylphenyl)propionamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N

InChI

InChI=1S/C20H21N5O4S2/c1-12-4-3-5-15(10-12)25-17(21)11-18(26)24-20(25)30-13(2)19(27)23-14-6-8-16(9-7-14)31(22,28)29/h3-11,13H,21H2,1-2H3,(H,23,27)(H2,22,28,29)