1,3,9-trimethyl-8-(phenylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-(benzylthio)-1,3,9-trimethyl-xanthine Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2S/c1-17-12-11(13(20)19(3)15(21)18(12)2)16-14(17)22-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3