tert-butyl 3-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylpropyl)-5-oxidanylidene-2-pentylimino-1,3-diazinane-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylpropyl)-5-oxidanylidene-2-pentylimino-1,3-diazinane-1-carboxylate Openeye Name: tert-butyl 3-[2-(cyclohexen-1-yl)ethyl]-6-isobutyl-5-oxo-2-pentylimino-hexahydropyrimidine-1-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6-(2-methylpropyl)-5-oxo-2-pentylimino-1,3-diazinane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylpropyl)-5-oxo-2-pentylimino-1,3-diazinane-1-carboxylate Traditional Name: 2-amylimino-3-[2-(cyclohexen-1-yl)ethyl]-6-isobutyl-5-keto-hexahydropyrimidine-1-carboxylic acid tert-butyl ester Formula: C26H45N3O3 MolecularWeight: 447.6538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C1N(CC(=O)C(N1C(=O)OC(C)(C)C)CC(C)C)CCC2=CCCCC2

Isomeric SMILES

CCCCCN=C1N(CC(=O)C(N1C(=O)OC(C)(C)C)CC(C)C)CCC2=CCCCC2

InChI

InChI=1S/C26H45N3O3/c1-7-8-12-16-27-24-28(17-15-21-13-10-9-11-14-21)19-23(30)22(18-20(2)3)29(24)25(31)32-26(4,5)6/h13,20,22H,7-12,14-19H2,1-6H3