4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-methyl-6-(1-piperidyl)pyrimidin-2-yl]-sulfanyl-methyl]benzonitrile CAS Name: 4-[mercapto-[4-methyl-6-(1-piperidinyl)-2-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)-sulfanylmethyl]benzonitrile Traditional Name: 4-[mercapto-(4-methyl-6-piperidino-pyrimidin-2-yl)methyl]benzonitrile Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C2=CC=C(C=C2)C#N)S)N3CCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C2=CC=C(C=C2)C#N)S)N3CCCCC3

InChI

InChI=1S/C18H20N4S/c1-13-11-16(22-9-3-2-4-10-22)21-18(20-13)17(23)15-7-5-14(12-19)6-8-15/h5-8,11,17,23H,2-4,9-10H2,1H3