[4-(2-methylbutan-2-yl)-2-pyrimidin-2-ylsulfanyl-cyclohexyl]methanamine

Systemtic Name: [4-(2-methylbutan-2-yl)-2-pyrimidin-2-ylsulfanyl-cyclohexyl]methanamine Openeye Name: [4-(1,1-dimethylpropyl)-2-pyrimidin-2-ylsulfanyl-cyclohexyl]methanamine CAS Name: [4-(2-methylbutan-2-yl)-2-(2-pyrimidinylthio)cyclohexyl]methanamine IUPAC Name: [4-(2-methylbutan-2-yl)-2-pyrimidin-2-ylsulfanylcyclohexyl]methanamine Traditional Name: [4-tert-amyl-2-(2-pyrimidylthio)cyclohexyl]methylamine Formula: C16H27N3S MolecularWeight: 293.47068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)SC2=NC=CC=N2)CN

Isomeric SMILES

CCC(C)(C)C1CCC(C(C1)SC2=NC=CC=N2)CN

InChI

InChI=1S/C16H27N3S/c1-4-16(2,3)13-7-6-12(11-17)14(10-13)20-15-18-8-5-9-19-15/h5,8-9,12-14H,4,6-7,10-11,17H2,1-3H3