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

Systemtic Name: 3-methylbutyl 6-(2-iodanylphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C18H23IN2O3 MolecularWeight: 442.29129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2I)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2I)C(=O)OCCC(C)C

InChI

InChI=1S/C18H23IN2O3/c1-11(2)9-10-24-17(22)15-12(3)21(4)18(23)20-16(15)13-7-5-6-8-14(13)19/h5-8,11,16H,9-10H2,1-4H3,(H,20,23)