N2-[3-[(4-nitrophenyl)amino]propyl]-5-nitroso-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[3-[(4-nitrophenyl)amino]propyl]-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N2-[3-(4-nitroanilino)propyl]-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(4-nitroanilino)propyl]-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 2-N-[3-(4-nitroanilino)propyl]-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: (4,6-diamino-5-nitroso-pyrimidin-2-yl)-[3-(4-nitroanilino)propyl]amine Formula: C13H16N8O3 MolecularWeight: 332.31794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCNC2=NC(=C(C(=N2)N)N=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCCNC2=NC(=C(C(=N2)N)N=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N8O3/c14-11-10(20-22)12(15)19-13(18-11)17-7-1-6-16-8-2-4-9(5-3-8)21(23)24/h2-5,16H,1,6-7H2,(H5,14,15,17,18,19)