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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H34N4O4S MolecularWeight: 474.61616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CCC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CCC4

InChI

InChI=1S/C24H34N4O4S/c1-3-28-19(15-26-10-6-11-27(13-12-26)22(29)17-7-5-8-17)20(23(30)32-4-2)21(25-24(28)31)18-9-14-33-16-18/h9,14,16-17,21H,3-8,10-13,15H2,1-2H3,(H,25,31)