ethyl (4S)-6-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(2-chlorobenzoyl)piperazino]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H27ClN4O4 MolecularWeight: 482.95928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H27ClN4O4/c1-2-34-24(32)21-20(27-25(33)28-22(21)17-8-4-3-5-9-17)16-29-12-14-30(15-13-29)23(31)18-10-6-7-11-19(18)26/h3-11,22H,2,12-16H2,1H3,(H2,27,28,33)/t22-/m0/s1