1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methylphenyl)methylthio]-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylbenzyl)thio]-7-(1-naphthylmethyl)xanthine Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C26H24N4O2S/c1-17-11-13-18(14-12-17)16-33-25-27-23-22(24(31)29(3)26(32)28(23)2)30(25)15-20-9-6-8-19-7-4-5-10-21(19)20/h4-14H,15-16H2,1-3H3