N2-[2-[(3-methoxy-4-nitro-phenyl)amino]ethyl]-5-nitroso-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[2-[(3-methoxy-4-nitro-phenyl)amino]ethyl]-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N2-[2-(3-methoxy-4-nitro-anilino)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N2-[2-(3-methoxy-4-nitroanilino)ethyl]-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 2-N-[2-(3-methoxy-4-nitroanilino)ethyl]-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: (4,6-diamino-5-nitroso-pyrimidin-2-yl)-[2-(3-methoxy-4-nitro-anilino)ethyl]amine Formula: C13H16N8O4 MolecularWeight: 348.31734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NCCNC2=NC(=C(C(=N2)N)N=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)NCCNC2=NC(=C(C(=N2)N)N=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N8O4/c1-25-9-6-7(2-3-8(9)21(23)24)16-4-5-17-13-18-11(14)10(20-22)12(15)19-13/h2-3,6,16H,4-5H2,1H3,(H5,14,15,17,18,19)