N-[(E)-[3,4-bis(fluoranyl)phenyl]methylideneamino]-7H-purin-6-amine

Systemtic Name: N-[(E)-[3,4-bis(fluoranyl)phenyl]methylideneamino]-7H-purin-6-amine Openeye Name: N-[(E)-(3,4-difluorophenyl)methyleneamino]-7H-purin-6-amine CAS Name: N-[(E)-(3,4-difluorophenyl)methylideneamino]-7H-purin-6-amine IUPAC Name: N-[(E)-(3,4-difluorophenyl)methylideneamino]-7H-purin-6-amine Traditional Name: [(E)-(3,4-difluorobenzylidene)amino]-(7H-purin-6-yl)amine Formula: C12H8F2N6 MolecularWeight: 274.228926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NNC2=NC=NC3=C2NC=N3)F)F

Isomeric SMILES

C1=CC(=C(C=C1/C=N/NC2=NC=NC3=C2NC=N3)F)F

InChI

InChI=1S/C12H8F2N6/c13-8-2-1-7(3-9(8)14)4-19-20-12-10-11(16-5-15-10)17-6-18-12/h1-6H,(H2,15,16,17,18,20)/b19-4+