8-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(1-acetyl-2-oxo-propyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(2,4-dioxopentan-3-ylthio)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(2,4-dioxopentan-3-ylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(1-acetyl-2-keto-propyl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H14N4O4S/c1-5(17)8(6(2)18)21-11-13-7-9(14-11)15(3)12(20)16(4)10(7)19/h8H,1-4H3,(H,13,14)