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

Systemtic Name: 1,3-dimethyl-8-(naphthalen-2-ylmethylsulfanyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(2-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-naphthalenylmethylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(2-naphthylmethylthio)xanthine Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2S/c1-27-22-21(23(30)28(2)25(27)31)29(15-17-8-4-3-5-9-17)24(26-22)32-16-18-12-13-19-10-6-7-11-20(19)14-18/h3-14H,15-16H2,1-2H3