1-methyl-6-methylsulfanyl-N4-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: 1-methyl-6-methylsulfanyl-N4-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: 1-methyl-6-methylsulfanyl-N4-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: 1-methyl-6-(methylthio)-N4-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 1-methyl-6-methylsulfanyl-4-N-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [3-amino-1-methyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C14H13F3N6S MolecularWeight: 354.35343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)N)C(=NC(=N2)SC)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=N1)N)C(=NC(=N2)SC)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C14H13F3N6S/c1-23-12-9(10(18)22-23)11(20-13(21-12)24-2)19-8-5-3-4-7(6-8)14(15,16)17/h3-6H,1-2H3,(H2,18,22)(H,19,20,21)