6-[[(3-nitrophenyl)amino]methyl]pteridine-2,4-diamine

Systemtic Name: 6-[[(3-nitrophenyl)amino]methyl]pteridine-2,4-diamine Openeye Name: 6-[(3-nitroanilino)methyl]pteridine-2,4-diamine CAS Name: 6-[(3-nitroanilino)methyl]pteridine-2,4-diamine IUPAC Name: 6-[(3-nitroanilino)methyl]pteridine-2,4-diamine Traditional Name: (2,4-diaminopteridin-6-yl)methyl-(3-nitrophenyl)amine Formula: C13H12N8O2 MolecularWeight: 312.28678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C13H12N8O2/c14-11-10-12(20-13(15)19-11)17-6-8(18-10)5-16-7-2-1-3-9(4-7)21(22)23/h1-4,6,16H,5H2,(H4,14,15,17,19,20)