N2-[2-azanyl-2-(5-nitropyridin-2-yl)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[2-azanyl-2-(5-nitropyridin-2-yl)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N2-[2-amino-2-(5-nitro-2-pyridyl)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N2-[2-amino-2-(5-nitro-2-pyridinyl)ethyl]-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 2-N-[2-amino-2-(5-nitropyridin-2-yl)ethyl]-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: [2-amino-2-(5-nitro-2-pyridyl)ethyl]-(4,6-diamino-5-nitroso-pyrimidin-2-yl)amine Formula: C11H13N9O3 MolecularWeight: 319.27942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])C(CNC2=NC(=C(C(=N2)N)N=O)N)N

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])C(CNC2=NC(=C(C(=N2)N)N=O)N)N

InChI

InChI=1S/C11H13N9O3/c12-6(7-2-1-5(3-15-7)20(22)23)4-16-11-17-9(13)8(19-21)10(14)18-11/h1-3,6H,4,12H2,(H5,13,14,16,17,18)