3-[5-cyano-3-(ethylcarbamoyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidin-4-yl]benzoic acid

Systemtic Name: 3-[5-cyano-3-(ethylcarbamoyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidin-4-yl]benzoic acid Openeye Name: 3-[5-cyano-3-(ethylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidin-4-yl]benzoic acid CAS Name: 3-[5-cyano-3-(ethylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidin-4-yl]benzoic acid IUPAC Name: 3-[5-cyano-3-(ethylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidin-4-yl]benzoic acid Traditional Name: 3-[5-cyano-3-(ethylcarbamoyl)-2-keto-6-methyl-1,4-dihydropyrimidin-4-yl]benzoic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCNC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H16N4O4/c1-3-18-15(23)20-13(12(8-17)9(2)19-16(20)24)10-5-4-6-11(7-10)14(21)22/h4-7,13H,3H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)