2-[C-methyl-N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]carbonimidoyl]benzoate

Systemtic Name: 2-[C-methyl-N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]carbonimidoyl]benzoate Openeye Name: 2-[C-methyl-N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]carbonimidoyl]benzoate CAS Name: 2-[1-[amino-[(4,6,7-trimethyl-2-quinazolinyl)imino]methyl]iminoethyl]benzoate IUPAC Name: 2-[C-methyl-N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]carbonimidoyl]benzoate Traditional Name: 2-[C-methyl-N-[N'-(4,6,7-trimethylquinazolin-2-yl)amidino]carbonimidoyl]benzoate Formula: C21H20N5O2- MolecularWeight: 374.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N=C(N)N=C(C)C3=CC=CC=C3C(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N=C(N)N=C(C)C3=CC=CC=C3C(=O)[O-])C)C

InChI

InChI=1S/C21H21N5O2/c1-11-9-17-14(4)24-21(25-18(17)10-12(11)2)26-20(22)23-13(3)15-7-5-6-8-16(15)19(27)28/h5-10H,1-4H3,(H,27,28)(H2,22,24,25,26)/p-1