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

Systemtic Name: 3,9-dimethyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-3,9-dimethyl-purine-2,6-dione CAS Name: 3,9-dimethyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-3,9-dimethylpurine-2,6-dione Traditional Name: 8-(benzylthio)-3,9-dimethyl-xanthine Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=C(N2C)SCC3=CC=CC=C3

InChI

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