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

Systemtic Name: butyl (6S)-6-(2-iodanylphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: butyl (6S)-6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid butyl ester IUPAC Name: butyl (6S)-6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2-iodophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid butyl ester Formula: C17H21IN2O3 MolecularWeight: 428.26471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2I)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC=C2I)C)C

InChI

InChI=1S/C17H21IN2O3/c1-4-5-10-23-16(21)14-11(2)20(3)17(22)19-15(14)12-8-6-7-9-13(12)18/h6-9,15H,4-5,10H2,1-3H3,(H,19,22)/t15-/m1/s1