4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]benzoic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-quinazolin-6-yl)methylamino]benzoic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C16H14N4O3/c17-16-19-13-6-1-9(7-12(13)14(21)20-16)8-18-11-4-2-10(3-5-11)15(22)23/h1-7,18H,8H2,(H,22,23)(H3,17,19,20,21)