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

Systemtic Name: ethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3,4-dimethoxyphenyl)-2-(4-ethoxycarbonyl-1-piperazinyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-2-(4-carbethoxypiperazino)-4-(3,4-dimethoxyphenyl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H30N4O7 MolecularWeight: 462.4962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C(=O)OCC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O7/c1-5-32-20(28)17-18(14-7-8-15(30-3)16(13-14)31-4)23-21(24-19(17)27)25-9-11-26(12-10-25)22(29)33-6-2/h7-8,13,17-18H,5-6,9-12H2,1-4H3,(H,23,24,27)/t17-,18-/m0/s1