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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(3-pyridylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-(3-pyridinylmethylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(3-pyridylmethylthio)xanthine Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CN=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CN=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H21N5O2S/c1-27-21-20(22(30)28(2)24(27)31)29(23(26-21)32-15-16-7-6-12-25-13-16)14-18-10-5-9-17-8-3-4-11-19(17)18/h3-13H,14-15H2,1-2H3