3-methyl-8-(oxiran-2-ylmethylsulfanyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-(oxiran-2-ylmethylsulfanyl)-7H-purine-2,6-dione Openeye Name: 3-methyl-8-(oxiran-2-ylmethylsulfanyl)-7H-purine-2,6-dione CAS Name: 3-methyl-8-(2-oxiranylmethylthio)-7H-purine-2,6-dione IUPAC Name: 3-methyl-8-(oxiran-2-ylmethylsulfanyl)-7H-purine-2,6-dione Traditional Name: 8-(glycidylthio)-3-methyl-7H-purine-2,6-quinone Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)SCC3CO3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)SCC3CO3

InChI

InChI=1S/C9H10N4O3S/c1-13-6-5(7(14)12-9(13)15)10-8(11-6)17-3-4-2-16-4/h4H,2-3H2,1H3,(H,10,11)(H,12,14,15)