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

Systemtic Name: 6-[[methyl-(3-nitrophenyl)amino]methyl]pteridine-2,4-diamine Openeye Name: 6-[(N-methyl-3-nitro-anilino)methyl]pteridine-2,4-diamine CAS Name: 6-[(N-methyl-3-nitroanilino)methyl]pteridine-2,4-diamine IUPAC Name: 6-[(N-methyl-3-nitroanilino)methyl]pteridine-2,4-diamine Traditional Name: (2,4-diaminopteridin-6-yl)methyl-methyl-(3-nitrophenyl)amine Formula: C14H14N8O2 MolecularWeight: 326.31336

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N8O2/c1-21(9-3-2-4-10(5-9)22(23)24)7-8-6-17-13-11(18-8)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)