2-azanyl-4-(4-fluorophenyl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(4-fluorophenyl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(4-fluorophenyl)-6-[2-(2-pyridyl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(4-fluorophenyl)-6-[2-(2-pyridinyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(4-fluorophenyl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(4-fluorophenyl)-6-[2-(2-pyridyl)ethylthio]pyrimidine-5-carbonitrile Formula: C18H14FN5S MolecularWeight: 351.400663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CC=NC(=C1)CCSC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C18H14FN5S/c19-13-6-4-12(5-7-13)16-15(11-20)17(24-18(21)23-16)25-10-8-14-3-1-2-9-22-14/h1-7,9H,8,10H2,(H2,21,23,24)