2-azanyl-4-[4-(4-fluorophenyl)piperidin-1-yl]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[4-(4-fluorophenyl)piperidin-1-yl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[4-(4-fluorophenyl)-1-piperidyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[4-(4-fluorophenyl)-1-piperidinyl]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[4-(4-fluorophenyl)piperidin-1-yl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[4-(4-fluorophenyl)piperidino]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C17H18FN5S MolecularWeight: 343.421723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N2CCC(CC2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N2CCC(CC2)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C17H18FN5S/c1-24-16-14(10-19)15(21-17(20)22-16)23-8-6-12(7-9-23)11-2-4-13(18)5-3-11/h2-5,12H,6-9H2,1H3,(H2,20,21,22)