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

Systemtic Name: ethyl 3-ethyl-4-[[3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[4-(isopropylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[3-methyl-4-[oxo-(propan-2-ylamino)methyl]-1-piperazinyl]methyl]-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]methyl]-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-[[4-(isopropylcarbamoyl)-3-methyl-piperazino]methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H35N5O4S MolecularWeight: 477.6201

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(C(C3)C)C(=O)NC(C)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(C(C3)C)C(=O)NC(C)C

InChI

InChI=1S/C23H35N5O4S/c1-6-27-18(13-26-9-10-28(16(5)12-26)22(30)24-15(3)4)19(21(29)32-7-2)20(25-23(27)31)17-8-11-33-14-17/h8,11,14-16,20H,6-7,9-10,12-13H2,1-5H3,(H,24,30)(H,25,31)