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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-benzyl-8-benzylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 7-benzyl-8-benzylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(benzylthio)-3-methyl-xanthine Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-23-17-16(18(25)22-19(23)26)24(12-14-8-4-2-5-9-14)20(21-17)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,22,25,26)