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

Systemtic Name: 2-(2-cyclohexylethyl)-6-nitro-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-(2-cyclohexylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-(2-cyclohexylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-(2-cyclohexylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(2-cyclohexylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN3C(=C(C(=O)N=C3S2)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)CCC2=NN3C(=C(C(=O)N=C3S2)[N+](=O)[O-])O

InChI

InChI=1S/C13H16N4O4S/c18-11-10(17(20)21)12(19)16-13(14-11)22-9(15-16)7-6-8-4-2-1-3-5-8/h8,19H,1-7H2