3-methyl-8-(naphthalen-1-ylmethylsulfanyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(naphthalen-1-ylmethylsulfanyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-8-(1-naphthalenylmethylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(1-naphthylmethylthio)xanthine Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C24H20N4O2S/c1-27-21-20(22(29)26-23(27)30)28(14-16-8-3-2-4-9-16)24(25-21)31-15-18-12-7-11-17-10-5-6-13-19(17)18/h2-13H,14-15H2,1H3,(H,26,29,30)