ethyl (4S,5S)-4-(4-fluorophenyl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(4-fluorophenyl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(4-fluorophenyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-fluorophenyl)-6-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(4-fluorophenyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-4-(4-fluorophenyl)-6-keto-2-[4-(2-pyrimidyl)piperazino]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H23FN6O3 MolecularWeight: 426.444123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN6O3/c1-2-31-19(30)16-17(14-4-6-15(22)7-5-14)25-21(26-18(16)29)28-12-10-27(11-13-28)20-23-8-3-9-24-20/h3-9,16-17H,2,10-13H2,1H3,(H,25,26,29)/t16-,17+/m0/s1