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

Systemtic Name: 2-(2-cyclooctylethyl)-6-nitro-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-(2-cyclooctylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-(2-cyclooctylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-(2-cyclooctylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(2-cyclooctylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CCC2=NN3C(=C(C(=O)N=C3S2)[N+](=O)[O-])O

Isomeric SMILES

C1CCCC(CCC1)CCC2=NN3C(=C(C(=O)N=C3S2)[N+](=O)[O-])O

InChI

InChI=1S/C15H20N4O4S/c20-13-12(19(22)23)14(21)18-15(16-13)24-11(17-18)9-8-10-6-4-2-1-3-5-7-10/h10,21H,1-9H2