6-(azepan-1-yl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C17H30N7O3+ MolecularWeight: 380.4652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+]3CCOCC3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+]3CCOCC3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H29N7O3/c18-15-14(24(25)26)16(23-8-3-1-2-4-9-23)21-17(20-15)19-6-5-7-22-10-12-27-13-11-22/h1-13H2,(H3,18,19,20,21)/p+1