4-(4-methylphenyl)-2-methylsulfanyl-6-piperidin-1-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-piperidin-1-yl-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(1-piperidyl)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-(1-piperidinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-piperidino-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCCCC3)C#N

InChI

InChI=1S/C18H20N4S/c1-13-6-8-14(9-7-13)16-15(12-19)17(21-18(20-16)23-2)22-10-4-3-5-11-22/h6-9H,3-5,10-11H2,1-2H3