3-[3-[(4-cyclopentyl-2-oxidanylidene-butyl)amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-[3-[(4-cyclopentyl-2-oxidanylidene-butyl)amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-[3-[(4-cyclopentyl-2-oxo-butyl)amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-[3-[(4-cyclopentyl-2-oxobutyl)amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-[3-[(4-cyclopentyl-2-oxobutyl)amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-[3-[(4-cyclopentyl-2-keto-butyl)amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C24H32N4O6 MolecularWeight: 472.53408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCNCC(=O)CCC2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCNCC(=O)CCC2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H32N4O6/c1-16-21(23(30)31)22(18-8-4-9-19(14-18)28(33)34)27(24(32)26-16)13-5-12-25-15-20(29)11-10-17-6-2-3-7-17/h4,8-9,14,17,22,25H,2-3,5-7,10-13,15H2,1H3,(H,26,32)(H,30,31)