6-(azepan-1-yl)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C14H23N5O3/c1-22-10-6-7-15-13-12(19(20)21)14(17-11-16-13)18-8-4-2-3-5-9-18/h11H,2-10H2,1H3,(H,15,16,17)