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

Systemtic Name: 6-(azepan-1-yl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(3-methoxypropyl)amine Formula: C14H24N6O3 MolecularWeight: 324.37876

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

COCCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C14H24N6O3/c1-23-10-6-7-16-14-17-12(15)11(20(21)22)13(18-14)19-8-4-2-3-5-9-19/h2-10H2,1H3,(H3,15,16,17,18)