6-(azepan-1-yl)-N-butyl-N-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-butyl-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-butyl-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-butyl-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-butyl-N-methyl-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-butyl-methyl-amine Formula: C15H25N5O2 MolecularWeight: 307.3913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N5O2/c1-3-4-9-18(2)14-13(20(21)22)15(17-12-16-14)19-10-7-5-6-8-11-19/h12H,3-11H2,1-2H3