[6-(dimethylamino)-5-nitro-pyrimidin-4-yl] 2-ethylbutanedithioate

Systemtic Name: [6-(dimethylamino)-5-nitro-pyrimidin-4-yl] 2-ethylbutanedithioate Openeye Name: [6-(dimethylamino)-5-nitro-pyrimidin-4-yl] 2-ethylbutanedithioate CAS Name: 2-ethylbutanedithioic acid [6-(dimethylamino)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-(dimethylamino)-5-nitropyrimidin-4-yl] 2-ethylbutanedithioate Traditional Name: 2-ethylbutanedithioic acid [6-(dimethylamino)-5-nitro-pyrimidin-4-yl] ester Formula: C12H18N4O2S2 MolecularWeight: 314.42692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=S)SC1=NC=NC(=C1[N+](=O)[O-])N(C)C

Isomeric SMILES

CCC(CC)C(=S)SC1=NC=NC(=C1[N+](=O)[O-])N(C)C

InChI

InChI=1S/C12H18N4O2S2/c1-5-8(6-2)12(19)20-11-9(16(17)18)10(15(3)4)13-7-14-11/h7-8H,5-6H2,1-4H3