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

Systemtic Name: 6-(azepan-1-yl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C16H28N7O3+ MolecularWeight: 366.43862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N7O3/c17-14-13(23(24)25)15(22-6-3-1-2-4-7-22)20-16(19-14)18-5-8-21-9-11-26-12-10-21/h1-12H2,(H3,17,18,19,20)/p+1