7-ethyl-1,3-dimethyl-8-[(2-methylnaphthalen-1-yl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[(2-methylnaphthalen-1-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[(2-methyl-1-naphthyl)methylsulfanyl]purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[(2-methyl-1-naphthalenyl)methylthio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[(2-methylnaphthalen-1-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[(2-methyl-1-naphthyl)methylthio]xanthine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC3=C(C=CC4=CC=CC=C43)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC3=C(C=CC4=CC=CC=C43)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H22N4O2S/c1-5-25-17-18(23(3)21(27)24(4)19(17)26)22-20(25)28-12-16-13(2)10-11-14-8-6-7-9-15(14)16/h6-11H,5,12H2,1-4H3