6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[2-(1-azepanyl)-2-oxoethyl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=O)NC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=O)NC2=O

InChI

InChI=1S/C11H16N4O3S/c16-8(15-5-3-1-2-4-6-15)7-19-10-9(17)12-11(18)14-13-10/h1-7H2,(H2,12,14,17,18)