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

Systemtic Name: cycloheptyl 6-(2-iodanylphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: cycloheptyl 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 cycloheptyl ester IUPAC Name: cycloheptyl 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 cycloheptyl ester Formula: C20H25IN2O3 MolecularWeight: 468.32857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2I)C(=O)OC3CCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2I)C(=O)OC3CCCCCC3

InChI

InChI=1S/C20H25IN2O3/c1-13-17(19(24)26-14-9-5-3-4-6-10-14)18(22-20(25)23(13)2)15-11-7-8-12-16(15)21/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3,(H,22,25)