3,3-dimethyl-1-(6H-purin-6-ylsulfanyl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(6H-purin-6-ylsulfanyl)butan-2-one Openeye Name: 3,3-dimethyl-1-(6H-purin-6-ylsulfanyl)butan-2-one CAS Name: 3,3-dimethyl-1-(6H-purin-6-ylthio)-2-butanone IUPAC Name: 3,3-dimethyl-1-(6H-purin-6-ylsulfanyl)butan-2-one Traditional Name: 3,3-dimethyl-1-(6H-purin-6-ylthio)butan-2-one Formula: C11H14N4OS MolecularWeight: 250.32006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1C2=NC=NC2=NC=N1

Isomeric SMILES

CC(C)(C)C(=O)CSC1C2=NC=NC2=NC=N1

InChI

InChI=1S/C11H14N4OS/c1-11(2,3)7(16)4-17-10-8-9(13-5-12-8)14-6-15-10/h5-6,10H,4H2,1-3H3