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

Systemtic Name: 2-azanyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[4-(4-fluorophenyl)piperazino]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C16H17FN6S MolecularWeight: 344.409783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N2CCN(CC2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N2CCN(CC2)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H17FN6S/c1-24-15-13(10-18)14(20-16(19)21-15)23-8-6-22(7-9-23)12-4-2-11(17)3-5-12/h2-5H,6-9H2,1H3,(H2,19,20,21)