3,7-dimethyl-8-(phenylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(benzylthio)-3,7-dimethyl-xanthine Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H14N4O2S/c1-17-10-11(18(2)13(20)16-12(10)19)15-14(17)21-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,16,19,20)