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

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-4-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzoylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-benzoyl-1-piperazinyl)methyl]-3-ethyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzoylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzoylpiperazino)methyl]-3-ethyl-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-3-29-20(16-27-11-13-28(14-12-27)23(30)18-8-6-5-7-9-18)21(24(31)33-4-2)22(26-25(29)32)19-10-15-34-17-19/h5-10,15,17,22H,3-4,11-14,16H2,1-2H3,(H,26,32)