[6-(methylamino)-5-nitro-pyrimidin-4-yl] azocane-1-carbodithioate

Systemtic Name: [6-(methylamino)-5-nitro-pyrimidin-4-yl] azocane-1-carbodithioate Openeye Name: [6-(methylamino)-5-nitro-pyrimidin-4-yl] azocane-1-carbodithioate CAS Name: 1-azocanecarbodithioic acid [6-(methylamino)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-(methylamino)-5-nitropyrimidin-4-yl] azocane-1-carbodithioate Traditional Name: azocane-1-carbodithioic acid [6-(methylamino)-5-nitro-pyrimidin-4-yl] ester Formula: C13H19N5O2S2 MolecularWeight: 341.45226

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)SC(=S)N2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)SC(=S)N2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O2S2/c1-14-11-10(18(19)20)12(16-9-15-11)22-13(21)17-7-5-3-2-4-6-8-17/h9H,2-8H2,1H3,(H,14,15,16)