6-methyl-4-(2-nitrophenyl)-3-[2-(phenylmethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(2-nitrophenyl)-3-[2-(phenylmethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(2-benzylpiperazine-1-carbonyl)-6-methyl-4-(2-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(2-nitrophenyl)-3-[oxo-[2-(phenylmethyl)-1-piperazinyl]methyl]-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(2-benzylpiperazine-1-carbonyl)-6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-(2-benzylpiperazine-1-carbonyl)-6-methyl-4-(2-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C24H25N5O5S MolecularWeight: 495.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)N2CCNCC2CC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)N2CCNCC2CC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H25N5O5S/c1-15-20(22(30)31)21(18-9-5-6-10-19(18)29(33)34)28(23(35)26-15)24(32)27-12-11-25-14-17(27)13-16-7-3-2-4-8-16/h2-10,17,21,25H,11-14H2,1H3,(H,26,35)(H,30,31)