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

Systemtic Name: 6-(azepan-1-yl)-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C15H25N5O2 MolecularWeight: 307.3913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C15H25N5O2/c1-12(2)7-8-16-14-13(20(21)22)15(18-11-17-14)19-9-5-3-4-6-10-19/h11-12H,3-10H2,1-2H3,(H,16,17,18)