1-[6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanylpurin-9-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanylpurin-9-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[6-(3,3-dimethyl-2-oxo-butyl)sulfanylpurin-9-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[6-[(3,3-dimethyl-2-oxobutyl)thio]-9-purinyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[6-(3,3-dimethyl-2-oxobutyl)sulfanylpurin-9-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[6-[(2-keto-3,3-dimethyl-butyl)thio]purin-9-yl]-3,3-dimethyl-butan-2-one Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC2=C1N=CN=C2SCC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C1N=CN=C2SCC(=O)C(C)(C)C

InChI

InChI=1S/C17H24N4O2S/c1-16(2,3)11(22)7-21-10-20-13-14(21)18-9-19-15(13)24-8-12(23)17(4,5)6/h9-10H,7-8H2,1-6H3