ethyl 3-ethyl-2-oxidanylidene-6-phenyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-6-phenyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-2-oxo-6-phenyl-4-[[4-(3-pyridylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-6-phenyl-4-[[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-6-phenyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-phenyl-4-[[4-(3-pyridylmethyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H33N5O3/c1-3-31-22(19-30-15-13-29(14-16-30)18-20-9-8-12-27-17-20)23(25(32)34-4-2)24(28-26(31)33)21-10-6-5-7-11-21/h5-12,17,24H,3-4,13-16,18-19H2,1-2H3,(H,28,33)