2-[1-[[N'-(6-ethoxy-4-methyl-quinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid

Systemtic Name: 2-[1-[[N'-(6-ethoxy-4-methyl-quinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid Openeye Name: 2-[1-[[N'-(6-ethoxy-4-methyl-quinazolin-2-yl)carbamimidoyl]amino]vinyl]benzoic acid CAS Name: 2-[1-[[amino-[(6-ethoxy-4-methyl-2-quinazolinyl)imino]methyl]amino]ethenyl]benzoic acid IUPAC Name: 2-[1-[[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]amino]ethenyl]benzoic acid Traditional Name: 2-[1-[[N'-(6-ethoxy-4-methyl-quinazolin-2-yl)amidino]amino]vinyl]benzoic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N=C(N)NC(=C)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N=C(N)NC(=C)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H21N5O3/c1-4-29-14-9-10-18-17(11-14)13(3)24-21(25-18)26-20(22)23-12(2)15-7-5-6-8-16(15)19(27)28/h5-11H,2,4H2,1,3H3,(H,27,28)(H3,22,23,24,25,26)