ethyl 4-[[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]benzoate CAS Name: 4-[[(E)-amino-[(4,6-dimethyl-2-pyrimidinyl)imino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]benzoate Traditional Name: 4-[[(E)-N'-(4,6-dimethylpyrimidin-2-yl)amidino]amino]benzoic acid ethyl ester Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC2=NC(=CC(=N2)C)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N

InChI

InChI=1S/C16H19N5O2/c1-4-23-14(22)12-5-7-13(8-6-12)20-15(17)21-16-18-10(2)9-11(3)19-16/h5-9H,4H2,1-3H3,(H3,17,18,19,20,21)