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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

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