N-[(2-fluoranyl-5-nitro-phenyl)methyl]-9-(oxan-2-yl)purin-6-amine

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)methyl]-9-(oxan-2-yl)purin-6-amine Openeye Name: N-[(2-fluoro-5-nitro-phenyl)methyl]-9-tetrahydropyran-2-yl-purin-6-amine CAS Name: N-[(2-fluoro-5-nitrophenyl)methyl]-9-(2-oxanyl)-6-purinamine IUPAC Name: N-[(2-fluoro-5-nitrophenyl)methyl]-9-(oxan-2-yl)purin-6-amine Traditional Name: (2-fluoro-5-nitro-benzyl)-(9-tetrahydropyran-2-ylpurin-6-yl)amine Formula: C17H17FN6O3 MolecularWeight: 372.353683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C17H17FN6O3/c18-13-5-4-12(24(25)26)7-11(13)8-19-16-15-17(21-9-20-16)23(10-22-15)14-3-1-2-6-27-14/h4-5,7,9-10,14H,1-3,6,8H2,(H,19,20,21)