ethyl (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-6-keto-2-[4-(2-pyrimidyl)piperazino]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H28N6O5 MolecularWeight: 468.50562

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O5/c1-4-34-21(31)18-19(15-6-7-16(32-2)17(14-15)33-3)26-23(27-20(18)30)29-12-10-28(11-13-29)22-24-8-5-9-25-22/h5-9,14,18-19H,4,10-13H2,1-3H3,(H,26,27,30)/t18-,19+/m0/s1