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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-(azepan-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O2/c1-2-7-14-12-11(18(19)20)13(16-10-15-12)17-8-5-3-4-6-9-17/h2,10H,1,3-9H2,(H,14,15,16)