tert-butyl N-[4-[3-(2-sulfanylethyl)-1,3-diazinan-1-yl]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[3-(2-sulfanylethyl)-1,3-diazinan-1-yl]butyl]carbamate Openeye Name: tert-butyl N-[4-[3-(2-sulfanylethyl)hexahydropyrimidin-1-yl]butyl]carbamate CAS Name: N-[4-[3-(2-mercaptoethyl)-1,3-diazinan-1-yl]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-(2-sulfanylethyl)-1,3-diazinan-1-yl]butyl]carbamate Traditional Name: N-[4-[3-(2-mercaptoethyl)hexahydropyrimidin-1-yl]butyl]carbamic acid tert-butyl ester Formula: C15H31N3O2S MolecularWeight: 317.49054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCN1CCCN(C1)CCS

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCN1CCCN(C1)CCS

InChI

InChI=1S/C15H31N3O2S/c1-15(2,3)20-14(19)16-7-4-5-8-17-9-6-10-18(13-17)11-12-21/h21H,4-13H2,1-3H3,(H,16,19)