4-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-(4-methyl-1-piperidyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(4-methyl-1-piperidinyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-(4-methylpiperidino)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C18H19ClN4S MolecularWeight: 358.88826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CC1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C18H19ClN4S/c1-12-7-9-23(10-8-12)17-15(11-20)16(21-18(22-17)24-2)13-3-5-14(19)6-4-13/h3-6,12H,7-10H2,1-2H3