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

Systemtic Name: 4-[(4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)amino]benzoic acid Openeye Name: 4-[(4-oxo-6-phenyl-hexahydropyrimidin-2-yl)amino]benzoic acid CAS Name: 4-[(4-oxo-6-phenyl-1,3-diazinan-2-yl)amino]benzoic acid IUPAC Name: 4-[(4-oxo-6-phenyl-1,3-diazinan-2-yl)amino]benzoic acid Traditional Name: 4-[(4-keto-6-phenyl-hexahydropyrimidin-2-yl)amino]benzoic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(NC1=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(NC(NC1=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3/c21-15-10-14(11-4-2-1-3-5-11)19-17(20-15)18-13-8-6-12(7-9-13)16(22)23/h1-9,14,17-19H,10H2,(H,20,21)(H,22,23)