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

Systemtic Name: N2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N2-[2-(2-chloro-4-nitro-anilino)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N2-[2-(2-chloro-4-nitroanilino)ethyl]-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 2-N-[2-(2-chloro-4-nitroanilino)ethyl]-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: 2-(2-chloro-4-nitro-anilino)ethyl-(4,6-diamino-5-nitroso-pyrimidin-2-yl)amine Formula: C12H13ClN8O3 MolecularWeight: 352.73642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN8O3/c13-7-5-6(21(23)24)1-2-8(7)16-3-4-17-12-18-10(14)9(20-22)11(15)19-12/h1-2,5,16H,3-4H2,(H5,14,15,17,18,19)