6-(7H-purin-6-ylsulfanyl)-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-(7H-purin-6-ylsulfanyl)-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-(7H-purin-6-ylsulfanyl)-2H-1,2,4-triazine-3,5-dione CAS Name: 6-(7H-purin-6-ylthio)-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-(7H-purin-6-ylsulfanyl)-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-(7H-purin-6-ylthio)-2H-1,2,4-triazine-3,5-quinone Formula: C8H5N7O2S MolecularWeight: 263.236

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SC3=NNC(=O)NC3=O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SC3=NNC(=O)NC3=O

InChI

InChI=1S/C8H5N7O2S/c16-5-7(14-15-8(17)13-5)18-6-3-4(10-1-9-3)11-2-12-6/h1-2H,(H,9,10,11,12)(H2,13,15,16,17)