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

Systemtic Name: ethyl 6-(2-chlorophenyl)-4-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)methyl]-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2-chlorophenyl)-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chlorophenyl)-4-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-chlorophenyl)-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chlorophenyl)-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H33ClN4O4 MolecularWeight: 489.00692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)C)CN3CCCN(CC3)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)C)CN3CCCN(CC3)C(=O)C4CCC4

InChI

InChI=1S/C25H33ClN4O4/c1-3-34-24(32)21-20(28(2)25(33)27-22(21)18-10-4-5-11-19(18)26)16-29-12-7-13-30(15-14-29)23(31)17-8-6-9-17/h4-5,10-11,17,22H,3,6-9,12-16H2,1-2H3,(H,27,33)