4-[2-(4-fluorophenyl)ethylamino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-(4-fluorophenyl)ethylamino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(4-fluorophenyl)ethylamino]-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-[2-(4-fluorophenyl)ethylamino]-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(4-fluorophenyl)ethylamino]-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[2-(4-fluorophenyl)ethylamino]-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C21H19FN4S MolecularWeight: 378.465763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCC3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C21H19FN4S/c1-14-3-7-16(8-4-14)19-18(13-23)20(26-21(25-19)27-2)24-12-11-15-5-9-17(22)10-6-15/h3-10H,11-12H2,1-2H3,(H,24,25,26)