methyl 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-ethylphenyl)-5-oxidanylidene-imidazol-4-ylidene]ethanoate

Systemtic Name: methyl 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-ethylphenyl)-5-oxidanylidene-imidazol-4-ylidene]ethanoate Openeye Name: methyl 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-ethylphenyl)-5-oxo-imidazol-4-ylidene]acetate CAS Name: 2-[2-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-(2-ethylphenyl)-5-oxo-4-imidazolylidene]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-ethylphenyl)-5-oxoimidazol-4-ylidene]acetate Traditional Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-ethylphenyl)-5-keto-2-imidazolin-4-ylidene]acetic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(=CC(=O)OC)N=C2NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C(=CC(=O)OC)N=C2NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H21N5O3/c1-5-14-8-6-7-9-16(14)25-18(27)15(11-17(26)28-4)23-20(25)24-19-21-12(2)10-13(3)22-19/h6-11H,5H2,1-4H3,(H,21,22,23,24)