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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-(2-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(2-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(2-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=CC4=CC=CC=C4C=C3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC4=CC=CC=C4C=C3)CCOC

InChI

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