6-[[(4-fluoranyl-3-nitro-phenyl)amino]methyl]pteridine-2,4-diamine

Systemtic Name: 6-[[(4-fluoranyl-3-nitro-phenyl)amino]methyl]pteridine-2,4-diamine Openeye Name: 6-[(4-fluoro-3-nitro-anilino)methyl]pteridine-2,4-diamine CAS Name: 6-[(4-fluoro-3-nitroanilino)methyl]pteridine-2,4-diamine IUPAC Name: 6-[(4-fluoro-3-nitroanilino)methyl]pteridine-2,4-diamine Traditional Name: (2,4-diaminopteridin-6-yl)methyl-(4-fluoro-3-nitro-phenyl)amine Formula: C13H11FN8O2 MolecularWeight: 330.277243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)[N+](=O)[O-])F

InChI

InChI=1S/C13H11FN8O2/c14-8-2-1-6(3-9(8)22(23)24)17-4-7-5-18-12-10(19-7)11(15)20-13(16)21-12/h1-3,5,17H,4H2,(H4,15,16,18,20,21)