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

Systemtic Name: ethyl (4S,5S)-4-(4-methylphenyl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-6-oxo-4-(p-tolyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-methylphenyl)-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-methylphenyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-6-keto-4-(p-tolyl)-2-[4-(2-pyrimidyl)piperazino]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N6O3 MolecularWeight: 422.48024

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-3-31-20(30)17-18(16-7-5-15(2)6-8-16)25-22(26-19(17)29)28-13-11-27(12-14-28)21-23-9-4-10-24-21/h4-10,17-18H,3,11-14H2,1-2H3,(H,25,26,29)/t17-,18+/m0/s1