N-[(3-methylsulfanylphenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: N-[(3-methylsulfanylphenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: N-[(3-methylsulfanylphenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: N-[[3-(methylthio)phenyl]methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: N-[(3-methylsulfanylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: [3-(methylthio)benzyl]-[1-(2-pyrimidyl)-3-piperidyl]amine Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)CNC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C17H22N4S/c1-22-16-7-2-5-14(11-16)12-20-15-6-3-10-21(13-15)17-18-8-4-9-19-17/h2,4-5,7-9,11,15,20H,3,6,10,12-13H2,1H3