4-azanyl-2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(4-bromo-2-fluorophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(4-bromo-2-fluoro-benzyl)thio]pyrimidine-5-carbonitrile Formula: C12H8BrFN4S MolecularWeight: 339.186123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1Br)F)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C12H8BrFN4S/c13-9-2-1-7(10(14)3-9)6-19-12-17-5-8(4-15)11(16)18-12/h1-3,5H,6H2,(H2,16,17,18)