6-(azepan-1-yl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-6-(azepan-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-5-nitro-N2-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-[4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]amine Formula: C13H20N6O2 MolecularWeight: 292.3369

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

C=CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C13H20N6O2/c1-2-7-15-13-16-11(14)10(19(20)21)12(17-13)18-8-5-3-4-6-9-18/h2H,1,3-9H2,(H3,14,15,16,17)