tert-butyl 2-cyclohexylimino-6-(2-methylpropyl)-5-oxidanylidene-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylate

Systemtic Name: tert-butyl 2-cyclohexylimino-6-(2-methylpropyl)-5-oxidanylidene-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylate Openeye Name: tert-butyl 2-cyclohexylimino-6-isobutyl-5-oxo-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-cyclohexylimino-6-(2-methylpropyl)-5-oxo-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyclohexylimino-6-(2-methylpropyl)-5-oxo-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-cyclohexylimino-6-isobutyl-5-keto-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid tert-butyl ester Formula: C28H43N3O3 MolecularWeight: 469.65932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)CN(C(=NC2CCCCC2)N1C(=O)OC(C)(C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1C(=O)CN(C(=NC2CCCCC2)N1C(=O)OC(C)(C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C28H43N3O3/c1-21(2)19-24-25(32)20-30(18-12-15-22-13-8-6-9-14-22)26(29-23-16-10-7-11-17-23)31(24)27(33)34-28(3,4)5/h6,8-9,13-14,21,23-24H,7,10-12,15-20H2,1-5H3