4-[(2-methylphenyl)methylsulfanyl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(2-methylphenyl)methylsulfanyl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-(o-tolylmethylsulfanyl)-6-(1-piperidyl)pyrimidine CAS Name: 4-[(2-methylphenyl)methylthio]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(2-methylphenyl)methylsulfanyl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(2-methylbenzyl)thio]-6-piperidino-pyrimidine Formula: C17H21N3S MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C17H21N3S/c1-14-7-3-4-8-15(14)12-21-17-11-16(18-13-19-17)20-9-5-2-6-10-20/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3