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

Systemtic Name: N2-[4-[(4-nitrophenyl)amino]butyl]-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N2-[4-(4-nitroanilino)butyl]-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N2-[4-(4-nitroanilino)butyl]-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 2-N-[4-(4-nitroanilino)butyl]-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: (4,6-diamino-5-nitroso-pyrimidin-2-yl)-[4-(4-nitroanilino)butyl]amine Formula: C14H18N8O3 MolecularWeight: 346.34452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCCNC2=NC(=C(C(=N2)N)N=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCCCNC2=NC(=C(C(=N2)N)N=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H18N8O3/c15-12-11(21-23)13(16)20-14(19-12)18-8-2-1-7-17-9-3-5-10(6-4-9)22(24)25/h3-6,17H,1-2,7-8H2,(H5,15,16,18,19,20)