ethyl (4S)-4-(2-chlorophenyl)-2-oxidanylidene-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(2-chlorophenyl)-2-oxidanylidene-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-chlorophenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-2-oxo-6-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-chlorophenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-2-keto-6-(pyrrolidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)CN3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2Cl)CN3CCCC3

InChI

InChI=1S/C18H22ClN3O3/c1-2-25-17(23)15-14(11-22-9-5-6-10-22)20-18(24)21-16(15)12-7-3-4-8-13(12)19/h3-4,7-8,16H,2,5-6,9-11H2,1H3,(H2,20,21,24)/t16-/m1/s1