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

Systemtic Name: propyl (6S)-6-(2-iodanylphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C16H19IN2O3 MolecularWeight: 414.23813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19IN2O3/c1-4-9-22-15(20)13-10(2)19(3)16(21)18-14(13)11-7-5-6-8-12(11)17/h5-8,14H,4,9H2,1-3H3,(H,18,21)/t14-/m1/s1