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

Systemtic Name: ethyl (4S)-4-(4-butylphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-butylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-butylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-butylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-butylphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OCC

InChI

InChI=1S/C18H24N2O3/c1-4-6-7-13-8-10-14(11-9-13)16-15(17(21)23-5-2)12(3)19-18(22)20-16/h8-11,16H,4-7H2,1-3H3,(H2,19,20,22)/t16-/m0/s1