1,3-dimethyl-6-(oxiran-2-ylmethylsulfanyl)purin-2-one

Systemtic Name: 1,3-dimethyl-6-(oxiran-2-ylmethylsulfanyl)purin-2-one Openeye Name: 1,3-dimethyl-6-(oxiran-2-ylmethylsulfanyl)purin-2-one CAS Name: 1,3-dimethyl-6-(2-oxiranylmethylthio)-2-purinone IUPAC Name: 1,3-dimethyl-6-(oxiran-2-ylmethylsulfanyl)purin-2-one Traditional Name: 6-(glycidylthio)-1,3-dimethyl-purin-2-one Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC=N2)N(C1=O)C)SCC3CO3

Isomeric SMILES

CN1C(=C2C(=NC=N2)N(C1=O)C)SCC3CO3

InChI

InChI=1S/C10H12N4O2S/c1-13-8-7(11-5-12-8)9(14(2)10(13)15)17-4-6-3-16-6/h5-6H,3-4H2,1-2H3