6-nitro-2-octyl-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 6-nitro-2-octyl-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 5-hydroxy-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 5-hydroxy-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 5-hydroxy-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 5-hydroxy-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN2C(=C(C(=O)N=C2S1)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCC1=NN2C(=C(C(=O)N=C2S1)[N+](=O)[O-])O

InChI

InChI=1S/C13H18N4O4S/c1-2-3-4-5-6-7-8-9-15-16-12(19)10(17(20)21)11(18)14-13(16)22-9/h19H,2-8H2,1H3