4-[(3-chlorophenyl)methylsulfanyl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(3-chlorophenyl)methylsulfanyl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(3-chlorophenyl)methylsulfanyl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[(3-chlorophenyl)methylthio]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(3-chlorophenyl)methylsulfanyl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(3-chlorobenzyl)thio]-6-piperidino-pyrimidine Formula: C16H18ClN3S MolecularWeight: 319.85222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H18ClN3S/c17-14-6-4-5-13(9-14)11-21-16-10-15(18-12-19-16)20-7-2-1-3-8-20/h4-6,9-10,12H,1-3,7-8,11H2