ethyl 6-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-benzyl-6-(2-chloro-4-hydroxy-3-iodo-5-methoxy-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chloro-4-hydroxy-3-iodo-5-methoxyphenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-6-(2-chloro-4-hydroxy-3-iodo-5-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(2-chloro-4-hydroxy-3-iodo-5-methoxy-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H22ClIN2O5 MolecularWeight: 556.77795

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2Cl)I)O)OC)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2Cl)I)O)OC)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H22ClIN2O5/c1-4-31-21(28)16-12(2)26(11-13-8-6-5-7-9-13)22(29)25-19(16)14-10-15(30-3)20(27)18(24)17(14)23/h5-10,19,27H,4,11H2,1-3H3,(H,25,29)