3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-diazinane-4-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-diazinane-4-carboxylic acid Openeye Name: 2-oxo-3-(p-tolylmethyl)hexahydropyrimidine-4-carboxylic acid CAS Name: 3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinane-4-carboxylic acid IUPAC Name: 3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinane-4-carboxylic acid Traditional Name: 2-keto-3-(4-methylbenzyl)hexahydropyrimidine-4-carboxylic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(CCNC2=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(CCNC2=O)C(=O)O

InChI

InChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)8-15-11(12(16)17)6-7-14-13(15)18/h2-5,11H,6-8H2,1H3,(H,14,18)(H,16,17)