N-[3,4-bis(fluoranyl)phenyl]-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine Openeye Name: N-(3,4-difluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine CAS Name: N-(3,4-difluorophenyl)-9-methyl-2-(3-methyl-1-pyrazolyl)-6-purinamine IUPAC Name: N-(3,4-difluorophenyl)-9-methyl-2-(3-methylpyrazol-1-yl)purin-6-amine Traditional Name: (3,4-difluorophenyl)-[9-methyl-2-(3-methylpyrazol-1-yl)purin-6-yl]amine Formula: C16H13F2N7 MolecularWeight: 341.318126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C2=NC3=C(C(=N2)NC4=CC(=C(C=C4)F)F)N=CN3C

Isomeric SMILES

CC1=NN(C=C1)C2=NC3=C(C(=N2)NC4=CC(=C(C=C4)F)F)N=CN3C

InChI

InChI=1S/C16H13F2N7/c1-9-5-6-25(23-9)16-21-14(13-15(22-16)24(2)8-19-13)20-10-3-4-11(17)12(18)7-10/h3-8H,1-2H3,(H,20,21,22)