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

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-6-phenyl-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-6-phenyl-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzylpiperazino)methyl]-3-ethyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3/c1-3-31-23(20-30-17-15-29(16-18-30)19-21-11-7-5-8-12-21)24(26(32)34-4-2)25(28-27(31)33)22-13-9-6-10-14-22/h5-14,25H,3-4,15-20H2,1-2H3,(H,28,33)