8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CC3=CC=CC4=CC=CC=C43

InChI

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