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

Systemtic Name: N2-[2-[(4-nitrophenyl)amino]ethyl]-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N2-[2-(4-nitroanilino)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N2-[2-(4-nitroanilino)ethyl]-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 2-N-[2-(4-nitroanilino)ethyl]-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: (4,6-diamino-5-nitroso-pyrimidin-2-yl)-[2-(4-nitroanilino)ethyl]amine Formula: C12H14N8O3 MolecularWeight: 318.29136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCNC2=NC(=C(C(=N2)N)N=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCNC2=NC(=C(C(=N2)N)N=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H14N8O3/c13-10-9(19-21)11(14)18-12(17-10)16-6-5-15-7-1-3-8(4-2-7)20(22)23/h1-4,15H,5-6H2,(H5,13,14,16,17,18)