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

Systemtic Name: 3-[(4-oxidanylidene-6-propyl-1,3-diazinan-2-yl)amino]benzoic acid Openeye Name: 3-[(4-oxo-6-propyl-hexahydropyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(4-oxo-6-propyl-1,3-diazinan-2-yl)amino]benzoic acid IUPAC Name: 3-[(4-oxo-6-propyl-1,3-diazinan-2-yl)amino]benzoic acid Traditional Name: 3-[(4-keto-6-propyl-hexahydropyrimidin-2-yl)amino]benzoic acid Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(=O)NC(N1)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1CC(=O)NC(N1)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H19N3O3/c1-2-4-10-8-12(18)17-14(15-10)16-11-6-3-5-9(7-11)13(19)20/h3,5-7,10,14-16H,2,4,8H2,1H3,(H,17,18)(H,19,20)