8-ethylsulfanyl-3-methyl-7-(2-naphthalen-1-yloxy-2-oxidanyl-ethyl)purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-(2-naphthalen-1-yloxy-2-oxidanyl-ethyl)purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-[2-hydroxy-2-(1-naphthyloxy)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-7-[2-hydroxy-2-(1-naphthalenyloxy)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-7-(2-hydroxy-2-naphthalen-1-yloxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-[2-hydroxy-2-(1-naphthoxy)ethyl]-3-methyl-xanthine Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC(O)OC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1CC(O)OC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H20N4O4S/c1-3-29-20-21-17-16(18(26)22-19(27)23(17)2)24(20)11-15(25)28-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,25H,3,11H2,1-2H3,(H,22,26,27)