1,3-dimethyl-6-(2-methylpropylsulfanyl)purin-2-one

Systemtic Name: 1,3-dimethyl-6-(2-methylpropylsulfanyl)purin-2-one Openeye Name: 6-isobutylsulfanyl-1,3-dimethyl-purin-2-one CAS Name: 1,3-dimethyl-6-(2-methylpropylthio)-2-purinone IUPAC Name: 1,3-dimethyl-6-(2-methylpropylsulfanyl)purin-2-one Traditional Name: 6-(isobutylthio)-1,3-dimethyl-purin-2-one Formula: C11H16N4OS MolecularWeight: 252.33594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C2C(=NC=N2)N(C(=O)N1C)C

Isomeric SMILES

CC(C)CSC1=C2C(=NC=N2)N(C(=O)N1C)C

InChI

InChI=1S/C11H16N4OS/c1-7(2)5-17-10-8-9(13-6-12-8)14(3)11(16)15(10)4/h6-7H,5H2,1-4H3