3-[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)amino]benzoic acid

Systemtic Name: 3-[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)amino]benzoic acid Openeye Name: 3-[(4-methyl-6-oxo-hexahydropyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(4-methyl-6-oxo-1,3-diazinan-2-yl)amino]benzoic acid IUPAC Name: 3-[(4-methyl-6-oxo-1,3-diazinan-2-yl)amino]benzoic acid Traditional Name: 3-[(4-keto-6-methyl-hexahydropyrimidin-2-yl)amino]benzoic acid Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(N1)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1CC(=O)NC(N1)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H15N3O3/c1-7-5-10(16)15-12(13-7)14-9-4-2-3-8(6-9)11(17)18/h2-4,6-7,12-14H,5H2,1H3,(H,15,16)(H,17,18)