6-butylsulfanyl-3,9-dimethyl-purin-2-one

Systemtic Name: 6-butylsulfanyl-3,9-dimethyl-purin-2-one Openeye Name: 6-butylsulfanyl-3,9-dimethyl-purin-2-one CAS Name: 6-(butylthio)-3,9-dimethyl-2-purinone IUPAC Name: 6-butylsulfanyl-3,9-dimethylpurin-2-one Traditional Name: 6-(butylthio)-3,9-dimethyl-purin-2-one Formula: C11H16N4OS MolecularWeight: 252.33594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)N(C2=C1N=CN2C)C

Isomeric SMILES

CCCCSC1=NC(=O)N(C2=C1N=CN2C)C

InChI

InChI=1S/C11H16N4OS/c1-4-5-6-17-9-8-10(14(2)7-12-8)15(3)11(16)13-9/h7H,4-6H2,1-3H3