4-[[(2-azanyl-5-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-5-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-4-keto-5-methyl-1H-quinazolin-6-yl)amino]methyl]benzoic acid Formula: C17H16N4O3 MolecularWeight: 324.33394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)N=C(N2)N)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)N=C(N2)N)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H16N4O3/c1-9-12(6-7-13-14(9)15(22)21-17(18)20-13)19-8-10-2-4-11(5-3-10)16(23)24/h2-7,19H,8H2,1H3,(H,23,24)(H3,18,20,21,22)