tert-butyl [6-(2-methylpropyl)-5-oxidanylidene-2-pentylimino-3-(3-phenylpropyl)-1,3-diazinan-1-yl] carbonate

Systemtic Name: tert-butyl [6-(2-methylpropyl)-5-oxidanylidene-2-pentylimino-3-(3-phenylpropyl)-1,3-diazinan-1-yl] carbonate Openeye Name: tert-butyl [6-isobutyl-5-oxo-2-pentylimino-3-(3-phenylpropyl)hexahydropyrimidin-1-yl] carbonate CAS Name: carbonic acid tert-butyl [6-(2-methylpropyl)-5-oxo-2-pentylimino-3-(3-phenylpropyl)-1,3-diazinan-1-yl] ester IUPAC Name: tert-butyl [6-(2-methylpropyl)-5-oxo-2-pentylimino-3-(3-phenylpropyl)-1,3-diazinan-1-yl] carbonate Traditional Name: carbonic acid [2-amylimino-6-isobutyl-5-keto-3-(3-phenylpropyl)hexahydropyrimidin-1-yl] tert-butyl ester Formula: C27H43N3O4 MolecularWeight: 473.64802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C1N(CC(=O)C(N1OC(=O)OC(C)(C)C)CC(C)C)CCCC2=CC=CC=C2

Isomeric SMILES

CCCCCN=C1N(CC(=O)C(N1OC(=O)OC(C)(C)C)CC(C)C)CCCC2=CC=CC=C2

InChI

InChI=1S/C27H43N3O4/c1-7-8-12-17-28-25-29(18-13-16-22-14-10-9-11-15-22)20-24(31)23(19-21(2)3)30(25)34-26(32)33-27(4,5)6/h9-11,14-15,21,23H,7-8,12-13,16-20H2,1-6H3