1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-(2-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(2-naphthylmethylthio)xanthine Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=CC5=CC=CC=C5C=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=CC5=CC=CC=C5C=C4)N(C(=O)N(C3=O)C)C

InChI

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