ethyl 4-methyl-6-(phenylcarbamoylamino)-2-(trichloromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(phenylcarbamoylamino)-2-(trichloromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(phenylcarbamoylamino)-2-(trichloromethyl)pyrimidine-5-carboxylate CAS Name: 4-[[anilino(oxo)methyl]amino]-6-methyl-2-(trichloromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(phenylcarbamoylamino)-2-(trichloromethyl)pyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(phenylcarbamoylamino)-2-(trichloromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15Cl3N4O3 MolecularWeight: 417.6743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1NC(=O)NC2=CC=CC=C2)C(Cl)(Cl)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1NC(=O)NC2=CC=CC=C2)C(Cl)(Cl)Cl)C

InChI

InChI=1S/C16H15Cl3N4O3/c1-3-26-13(24)11-9(2)20-14(16(17,18)19)22-12(11)23-15(25)21-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,20,21,22,23,25)