tert-butyl (6S)-2-ethylimino-6-(2-methylpropyl)-5-oxidanylidene-3-(phenylmethyl)-1,3-diazinane-1-carboxylate

Systemtic Name: tert-butyl (6S)-2-ethylimino-6-(2-methylpropyl)-5-oxidanylidene-3-(phenylmethyl)-1,3-diazinane-1-carboxylate Openeye Name: tert-butyl (6S)-3-benzyl-2-ethylimino-6-isobutyl-5-oxo-hexahydropyrimidine-1-carboxylate CAS Name: (6S)-2-ethylimino-6-(2-methylpropyl)-5-oxo-3-(phenylmethyl)-1,3-diazinane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6S)-3-benzyl-2-ethylimino-6-(2-methylpropyl)-5-oxo-1,3-diazinane-1-carboxylate Traditional Name: (6S)-3-benzyl-2-ethylimino-6-isobutyl-5-keto-hexahydropyrimidine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1N(CC(=O)C(N1C(=O)OC(C)(C)C)CC(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCN=C1N(CC(=O)[C@@H](N1C(=O)OC(C)(C)C)CC(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O3/c1-7-23-20-24(14-17-11-9-8-10-12-17)15-19(26)18(13-16(2)3)25(20)21(27)28-22(4,5)6/h8-12,16,18H,7,13-15H2,1-6H3/t18-/m0/s1