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

Systemtic Name: 4-[[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(4-methyl-6-oxo-hexahydropyrimidin-2-yl)amino]methyl]benzoic acid CAS Name: 4-[[(4-methyl-6-oxo-1,3-diazinan-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(4-methyl-6-oxo-1,3-diazinan-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-keto-6-methyl-hexahydropyrimidin-2-yl)amino]methyl]benzoic acid Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(N1)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1CC(=O)NC(N1)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H17N3O3/c1-8-6-11(17)16-13(15-8)14-7-9-2-4-10(5-3-9)12(18)19/h2-5,8,13-15H,6-7H2,1H3,(H,16,17)(H,18,19)