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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23IN2O3/c1-4-5-8-11-24-17(22)15-12(2)21(3)18(23)20-16(15)13-9-6-7-10-14(13)19/h6-7,9-10,16H,4-5,8,11H2,1-3H3,(H,20,23)