7-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-(3,3-dimethyl-2-oxo-butyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-(2-keto-3,3-dimethyl-butyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H18N4O3S/c1-13(2,3)7(18)6-17-8-9(14-11(17)21)15(4)12(20)16(5)10(8)19/h6H2,1-5H3,(H,14,21)