6-butan-2-yl-8-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione

Systemtic Name: 6-butan-2-yl-8-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione Openeye Name: 8-ethyl-6-sec-butyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione CAS Name: 6-butan-2-yl-8-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione IUPAC Name: 6-butan-2-yl-8-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione Traditional Name: 8-ethyl-6-sec-butyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-quinone Formula: C11H16N3O2S+ MolecularWeight: 254.32864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N2C(=[N+](C1=O)CC)SC=N2

Isomeric SMILES

CCC(C)C1C(=O)N2C(=[N+](C1=O)CC)SC=N2

InChI

InChI=1S/C11H16N3O2S/c1-4-7(3)8-9(15)13(5-2)11-14(10(8)16)12-6-17-11/h6-8H,4-5H2,1-3H3/q+1