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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-6-(3-methylphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-3-ethyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-keto-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O4/c1-4-31-22(18-29-13-8-14-30(16-15-29)25(32)20-10-7-11-20)23(26(33)35-5-2)24(28-27(31)34)21-12-6-9-19(3)17-21/h6,9,12,17,20,24H,4-5,7-8,10-11,13-16,18H2,1-3H3,(H,28,34)