ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[[4-(2-pyridyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H29N5O4/c1-3-33-23(30)21-19(16-28-12-14-29(15-13-28)20-6-4-5-11-25-20)26-24(31)27-22(21)17-7-9-18(32-2)10-8-17/h4-11,22H,3,12-16H2,1-2H3,(H2,26,27,31)