1,3-dimethyl-7-[2-(7H-purin-6-ylsulfanyl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(7H-purin-6-ylsulfanyl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(7H-purin-6-ylsulfanyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(7H-purin-6-ylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(7H-purin-6-ylsulfanyl)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(7H-purin-6-ylthio)ethyl]xanthine Formula: C14H14N8O2S MolecularWeight: 358.37836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C14H14N8O2S/c1-20-11-9(13(23)21(2)14(20)24)22(7-19-11)3-4-25-12-8-10(16-5-15-8)17-6-18-12/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)