tert-butyl 6-phenylsulfanyl-3-propan-2-yl-1,3-diazinane-1-carboxylate

Systemtic Name: tert-butyl 6-phenylsulfanyl-3-propan-2-yl-1,3-diazinane-1-carboxylate Openeye Name: tert-butyl 3-isopropyl-6-phenylsulfanyl-hexahydropyrimidine-1-carboxylate CAS Name: 6-(phenylthio)-3-propan-2-yl-1,3-diazinane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-phenylsulfanyl-3-propan-2-yl-1,3-diazinane-1-carboxylate Traditional Name: 3-isopropyl-6-(phenylthio)hexahydropyrimidine-1-carboxylic acid tert-butyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(N(C1)C(=O)OC(C)(C)C)SC2=CC=CC=C2

Isomeric SMILES

CC(C)N1CCC(N(C1)C(=O)OC(C)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C18H28N2O2S/c1-14(2)19-12-11-16(23-15-9-7-6-8-10-15)20(13-19)17(21)22-18(3,4)5/h6-10,14,16H,11-13H2,1-5H3