2-[(4-tert-butylphenyl)methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine hydrochloride

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine hydrochloride Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine hydrochloride CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine hydrochloride IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine hydrochloride Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine hydrochloride Formula: C17H27ClN2S MolecularWeight: 326.92768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=CC=C(C=C2)C(C)(C)C)C.Cl

Isomeric SMILES

CC1(CNC(=NC1)SCC2=CC=C(C=C2)C(C)(C)C)C.Cl

InChI

InChI=1S/C17H26N2S.ClH/c1-16(2,3)14-8-6-13(7-9-14)10-20-15-18-11-17(4,5)12-19-15;/h6-9H,10-12H2,1-5H3,(H,18,19);1H