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

Systemtic Name: ethyl 4-[(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)methyl]-6-(2,4-dimethylphenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,4-dimethylphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-6-(2,4-dimethylphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,4-dimethylphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,4-dimethylphenyl)-3-ethyl-2-keto-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=C(C=C(C=C2)C)C)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C=C(C=C2)C)C)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C27H38N4O4/c1-5-31-22(17-29-12-7-13-30(15-14-29)25(32)20-9-10-20)23(26(33)35-6-2)24(28-27(31)34)21-11-8-18(3)16-19(21)4/h8,11,16,20,24H,5-7,9-10,12-15,17H2,1-4H3,(H,28,34)