[2-(2,2-dimethylpropanoylamino)-6-methyl-pyrimidin-4-yl] 4-chloranylbenzoate

Systemtic Name: [2-(2,2-dimethylpropanoylamino)-6-methyl-pyrimidin-4-yl] 4-chloranylbenzoate Openeye Name: [2-(2,2-dimethylpropanoylamino)-6-methyl-pyrimidin-4-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(2,2-dimethyl-1-oxopropyl)amino]-6-methyl-4-pyrimidinyl] ester IUPAC Name: [2-(2,2-dimethylpropanoylamino)-6-methylpyrimidin-4-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [6-methyl-2-(pivaloylamino)pyrimidin-4-yl] ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C(C)(C)C)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)C(C)(C)C)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-10-9-13(20-16(19-10)21-15(23)17(2,3)4)24-14(22)11-5-7-12(18)8-6-11/h5-9H,1-4H3,(H,19,20,21,23)