hexyl (4S)-4-(2,4-dichlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: hexyl (4S)-4-(2,4-dichlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: hexyl (4S)-4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4S)-4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,4-dichlorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester Formula: C18H22Cl2N2O3 MolecularWeight: 385.28488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=O)NC1C2=C(C=C(C=C2)Cl)Cl)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=C(C=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C18H22Cl2N2O3/c1-3-4-5-6-9-25-17(23)15-11(2)21-18(24)22-16(15)13-8-7-12(19)10-14(13)20/h7-8,10,16H,3-6,9H2,1-2H3,(H2,21,22,24)/t16-/m1/s1