5-cyano-4-[3-(2-hydroxyethylcarbamoyl)phenyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 5-cyano-4-[3-(2-hydroxyethylcarbamoyl)phenyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-4-[3-(2-hydroxyethylcarbamoyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-4-[3-[(2-hydroxyethylamino)-oxomethyl]phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-4-[3-(2-hydroxyethylcarbamoyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-4-[3-(2-hydroxyethylcarbamoyl)phenyl]-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC(=C2)C(=O)NCCO)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC(=C2)C(=O)NCCO)C#N

InChI

InChI=1S/C16H16N4O5/c1-9-12(8-17)13(20(16(24)25)15(23)19-9)10-3-2-4-11(7-10)14(22)18-5-6-21/h2-4,7,13,21H,5-6H2,1H3,(H,18,22)(H,19,23)(H,24,25)