2-[1-[[N'-(4-methylquinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid

Systemtic Name: 2-[1-[[N'-(4-methylquinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid Openeye Name: 2-[1-[[N'-(4-methylquinazolin-2-yl)carbamimidoyl]amino]vinyl]benzoic acid CAS Name: 2-[1-[[amino-[(4-methyl-2-quinazolinyl)imino]methyl]amino]ethenyl]benzoic acid IUPAC Name: 2-[1-[[N'-(4-methylquinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid Traditional Name: 2-[1-[[N'-(4-methylquinazolin-2-yl)amidino]amino]vinyl]benzoic acid Formula: C19H17N5O2 MolecularWeight: 347.37058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)N=C(N)NC(=C)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)N=C(N)NC(=C)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H17N5O2/c1-11(13-7-3-4-9-15(13)17(25)26)21-18(20)24-19-22-12(2)14-8-5-6-10-16(14)23-19/h3-10H,1H2,2H3,(H,25,26)(H3,20,21,22,23,24)