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

Systemtic Name: 2-(2-cyclopentylethyl)-6-nitro-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-(2-cyclopentylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-(2-cyclopentylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-(2-cyclopentylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(2-cyclopentylethyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NN3C(=C(C(=O)N=C3S2)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(C1)CCC2=NN3C(=C(C(=O)N=C3S2)[N+](=O)[O-])O

InChI

InChI=1S/C12H14N4O4S/c17-10-9(16(19)20)11(18)15-12(13-10)21-8(14-15)6-5-7-3-1-2-4-7/h7,18H,1-6H2