4,6-bis(fluoranyl)-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol

Systemtic Name: 4,6-bis(fluoranyl)-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol Openeye Name: 4,6-difluoro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol CAS Name: 4,6-difluoro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol IUPAC Name: 4,6-difluoro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol Traditional Name: 4,6-difluoro-2-[(7H-purin-6-ylamino)methyl]resorcinol Formula: C12H9F2N5O2 MolecularWeight: 293.228966

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1F)O)CNC2=NC=NC3=C2NC=N3)O)F

Isomeric SMILES

C1=C(C(=C(C(=C1F)O)CNC2=NC=NC3=C2NC=N3)O)F

InChI

InChI=1S/C12H9F2N5O2/c13-6-1-7(14)10(21)5(9(6)20)2-15-11-8-12(17-3-16-8)19-4-18-11/h1,3-4,20-21H,2H2,(H2,15,16,17,18,19)