[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C21H26N4O6/c1-12(2)18(25-19(27)14-8-6-7-13(3)9-14)20(28)31-11-15(26)22-21-23-16(29-4)10-17(24-21)30-5/h6-10,12,18H,11H2,1-5H3,(H,25,27)(H,22,23,24,26)