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

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-6-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-4-phenyl-6-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[[4-(2-thenyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H28N4O3S/c1-2-30-22(28)20-19(24-23(29)25-21(20)17-7-4-3-5-8-17)16-27-12-10-26(11-13-27)15-18-9-6-14-31-18/h3-9,14,21H,2,10-13,15-16H2,1H3,(H2,24,25,29)