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

Systemtic Name: 4-[4-(4-fluorophenyl)piperidin-1-yl]-6-(2-hydroxyethylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-1-piperidyl]-6-(2-hydroxyethylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-[4-(4-fluorophenyl)-1-piperidinyl]-6-(2-hydroxyethylamino)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(4-fluorophenyl)piperidin-1-yl]-6-(2-hydroxyethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[4-(4-fluorophenyl)piperidino]-6-(2-hydroxyethylamino)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C19H22FN5OS MolecularWeight: 387.474283

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCO)C#N)N2CCC(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCO)C#N)N2CCC(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN5OS/c1-27-19-23-17(22-8-11-26)16(12-21)18(24-19)25-9-6-14(7-10-25)13-2-4-15(20)5-3-13/h2-5,14,26H,6-11H2,1H3,(H,22,23,24)