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

Systemtic Name: ethyl (4S)-6-(chloromethyl)-4-(4-dimethylaminophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(chloromethyl)-4-(4-dimethylaminophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(chloromethyl)-4-(4-dimethylaminophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(chloromethyl)-4-(4-dimethylaminophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(chloromethyl)-4-(4-dimethylaminophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H20ClN3O3 MolecularWeight: 337.8013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)N(C)C)CCl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)N(C)C)CCl

InChI

InChI=1S/C16H20ClN3O3/c1-4-23-15(21)13-12(9-17)18-16(22)19-14(13)10-5-7-11(8-6-10)20(2)3/h5-8,14H,4,9H2,1-3H3,(H2,18,19,22)/t14-/m0/s1