1,3-dimethyl-8-(3-oxidanylidenebutylsulfanyl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-oxidanylidenebutylsulfanyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-oxobutylsulfanyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-oxobutylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-oxobutylsulfanyl)-7H-purine-2,6-dione Traditional Name: 8-(3-ketobutylthio)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)CCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H14N4O3S/c1-6(16)4-5-19-10-12-7-8(13-10)14(2)11(18)15(3)9(7)17/h4-5H2,1-3H3,(H,12,13)