2-[1-[[N'-(7-methoxy-4-methyl-quinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid

Systemtic Name: 2-[1-[[N'-(7-methoxy-4-methyl-quinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid Openeye Name: 2-[1-[[N'-(7-methoxy-4-methyl-quinazolin-2-yl)carbamimidoyl]amino]vinyl]benzoic acid CAS Name: 2-[1-[[amino-[(7-methoxy-4-methyl-2-quinazolinyl)imino]methyl]amino]ethenyl]benzoic acid IUPAC Name: 2-[1-[[N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid Traditional Name: 2-[1-[[N'-(7-methoxy-4-methyl-quinazolin-2-yl)amidino]amino]vinyl]benzoic acid Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)OC)N=C(N)NC(=C)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)OC)N=C(N)NC(=C)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H19N5O3/c1-11(14-6-4-5-7-16(14)18(26)27)22-19(21)25-20-23-12(2)15-9-8-13(28-3)10-17(15)24-20/h4-10H,1H2,2-3H3,(H,26,27)(H3,21,22,23,24,25)