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

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-4-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H35ClN4O4 MolecularWeight: 503.0335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClN4O4/c1-3-31-21(17-29-13-6-14-30(16-15-29)24(32)19-7-5-8-19)22(25(33)35-4-2)23(28-26(31)34)18-9-11-20(27)12-10-18/h9-12,19,23H,3-8,13-17H2,1-2H3,(H,28,34)