3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-8-[(4-methylphenyl)methylthio]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(1-naphthoxy)propyl]-3-methyl-8-[(4-methylbenzyl)thio]xanthine Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC(COC4=CC=CC5=CC=CC=C54)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC(COC4=CC=CC5=CC=CC=C54)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C27H26N4O4S/c1-17-10-12-18(13-11-17)16-36-27-28-24-23(25(33)29-26(34)30(24)2)31(27)14-20(32)15-35-22-9-5-7-19-6-3-4-8-21(19)22/h3-13,20,32H,14-16H2,1-2H3,(H,29,33,34)