2-azanyl-4-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-methyl-6-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-methyl-6-[[3-(trifluoromethyl)benzyl]thio]pyrimidine-5-carbonitrile Formula: C14H11F3N4S MolecularWeight: 324.32415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)SCC2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)N)SCC2=CC(=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H11F3N4S/c1-8-11(6-18)12(21-13(19)20-8)22-7-9-3-2-4-10(5-9)14(15,16)17/h2-5H,7H2,1H3,(H2,19,20,21)