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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(1-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(1-naphthylmethylthio)xanthine Formula: C20H20N4O3S MolecularWeight: 396.4628

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-23-17-16(18(25)22-19(23)26)24(10-11-27-2)20(21-17)28-12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-12H2,1-2H3,(H,22,25,26)