2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,4,5,6-tetrahydropyrimidine Formula: C17H26N2S MolecularWeight: 290.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NCCCN2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NCCCN2)C)C(C)(C)C

InChI

InChI=1S/C17H26N2S/c1-12-9-14(17(3,4)5)10-13(2)15(12)11-20-16-18-7-6-8-19-16/h9-10H,6-8,11H2,1-5H3,(H,18,19)