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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-propan-2-yl-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-isopropyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-propan-2-yl-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-isopropyl-amine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C13H21N5O2/c1-10(2)16-12-11(18(19)20)13(15-9-14-12)17-7-5-3-4-6-8-17/h9-10H,3-8H2,1-2H3,(H,14,15,16)