3-[3-[(4-acetamidophenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-[3-[(4-acetamidophenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-[3-[(4-acetamidophenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-[3-[(4-acetamidophenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-[3-[(4-acetamidophenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-[3-[(4-acetamidophenyl)sulfonylmethylamino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C24H27N5O8S MolecularWeight: 545.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCNCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCNCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H27N5O8S/c1-15-21(23(31)32)22(17-5-3-6-19(13-17)29(34)35)28(24(33)26-15)12-4-11-25-14-38(36,37)20-9-7-18(8-10-20)27-16(2)30/h3,5-10,13,22,25H,4,11-12,14H2,1-2H3,(H,26,33)(H,27,30)(H,31,32)