2-phenoxyethyl 6-(2-iodanylphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-phenoxyethyl 6-(2-iodanylphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-phenoxyethyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-iodophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C21H21IN2O4 MolecularWeight: 492.30691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2I)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2I)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H21IN2O4/c1-14-18(20(25)28-13-12-27-15-8-4-3-5-9-15)19(23-21(26)24(14)2)16-10-6-7-11-17(16)22/h3-11,19H,12-13H2,1-2H3,(H,23,26)