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

Systemtic Name: ethyl (6S)-3-ethyl-2-oxidanylidene-6-phenyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-2-oxo-6-phenyl-4-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-2-oxo-6-phenyl-4-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-2-oxo-6-phenyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-2-keto-6-phenyl-4-[[4-(2-thenyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H32N4O3S MolecularWeight: 468.61158

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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=CS4

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C25H32N4O3S/c1-3-29-21(18-28-14-12-27(13-15-28)17-20-11-8-16-33-20)22(24(30)32-4-2)23(26-25(29)31)19-9-6-5-7-10-19/h5-11,16,23H,3-4,12-15,17-18H2,1-2H3,(H,26,31)/t23-/m0/s1