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

Systemtic Name: ethyl (4S)-6-[(4-ethanoylpiperazin-1-yl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-acetyl-1-piperazinyl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-acetylpiperazino)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-3-28-19(26)17-16(13-23-9-11-24(12-10-23)14(2)25)21-20(27)22-18(17)15-7-5-4-6-8-15/h4-8,18H,3,9-13H2,1-2H3,(H2,21,22,27)/t18-/m0/s1