phenethyl 4-(3-iodanylphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: phenethyl 4-(3-iodanylphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenethyl 4-(3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-iodophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester Formula: C20H19IN2O3 MolecularWeight: 462.28093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)I)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)I)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H19IN2O3/c1-13-17(19(24)26-11-10-14-6-3-2-4-7-14)18(23-20(25)22-13)15-8-5-9-16(21)12-15/h2-9,12,18H,10-11H2,1H3,(H2,22,23,25)