6-(azepan-1-yl)-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2-methoxyethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C13H21N5O3/c1-21-9-6-14-12-11(18(19)20)13(16-10-15-12)17-7-4-2-3-5-8-17/h10H,2-9H2,1H3,(H,14,15,16)