6-methyl-4-(3-nitrophenyl)-3-piperidin-1-ylcarbonyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-3-piperidin-1-ylcarbonyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-3-(piperidine-1-carbonyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-3-[oxo(1-piperidinyl)methyl]-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-3-(piperidine-1-carbonyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-(piperidine-1-carbonyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)N2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)N2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H20N4O5S/c1-11-14(16(23)24)15(12-6-5-7-13(10-12)22(26)27)21(17(28)19-11)18(25)20-8-3-2-4-9-20/h5-7,10,15H,2-4,8-9H2,1H3,(H,19,28)(H,23,24)