9-[[2,6-bis(fluoranyl)phenyl]methyl]purine-6-carbonitrile

Systemtic Name: 9-[[2,6-bis(fluoranyl)phenyl]methyl]purine-6-carbonitrile Openeye Name: 9-[(2,6-difluorophenyl)methyl]purine-6-carbonitrile CAS Name: 9-[(2,6-difluorophenyl)methyl]-6-purinecarbonitrile IUPAC Name: 9-[(2,6-difluorophenyl)methyl]purine-6-carbonitrile Traditional Name: 9-(2,6-difluorobenzyl)purine-6-carbonitrile Formula: C13H7F2N5 MolecularWeight: 271.224986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CN2C=NC3=C(N=CN=C32)C#N)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)CN2C=NC3=C(N=CN=C32)C#N)F

InChI

InChI=1S/C13H7F2N5/c14-9-2-1-3-10(15)8(9)5-20-7-19-12-11(4-16)17-6-18-13(12)20/h1-3,6-7H,5H2