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

Systemtic Name: 2-(3-cyclohexylpropyl)-6-nitro-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-(3-cyclohexylpropyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-(3-cyclohexylpropyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-(3-cyclohexylpropyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(3-cyclohexylpropyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC2=NN3C(=C(C(=O)N=C3S2)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)CCCC2=NN3C(=C(C(=O)N=C3S2)[N+](=O)[O-])O

InChI

InChI=1S/C14H18N4O4S/c19-12-11(18(21)22)13(20)17-14(15-12)23-10(16-17)8-4-7-9-5-2-1-3-6-9/h9,20H,1-8H2