ethyl 6-[(2-chloranylpyridin-4-yl)carbonyloxymethyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(2-chloranylpyridin-4-yl)carbonyloxymethyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2-chloropyridine-4-carbonyl)oxymethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(2-chloro-4-pyridinyl)-oxomethoxy]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloropyridine-4-carbonyl)oxymethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(2-chloroisonicotinoyl)oxymethyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C21H20ClN3O6/c1-3-30-20(27)17-15(11-31-19(26)13-8-9-23-16(22)10-13)24-21(28)25-18(17)12-4-6-14(29-2)7-5-12/h4-10,18H,3,11H2,1-2H3,(H2,24,25,28)