ethyl 4-[[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl]-2-oxidanylidene-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl]-2-oxidanylidene-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(tert-butylamino)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-oxo-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl]-2-oxo-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)CC=C)CN3CCCN(CC3)C(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)CC=C)CN3CCCN(CC3)C(=O)NC(C)(C)C

InChI

InChI=1S/C27H39N5O4/c1-6-14-32-21(19-30-15-11-16-31(18-17-30)26(35)29-27(3,4)5)22(24(33)36-7-2)23(28-25(32)34)20-12-9-8-10-13-20/h6,8-10,12-13,23H,1,7,11,14-19H2,2-5H3,(H,28,34)(H,29,35)