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

Systemtic Name: 3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(4-methylphenyl)methylthio]purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(4-methylbenzyl)thio]xanthine Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC(COC4=CC=CC=C4C)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC(COC4=CC=CC=C4C)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C24H26N4O4S/c1-15-8-10-17(11-9-15)14-33-24-25-21-20(22(30)26-23(31)27(21)3)28(24)12-18(29)13-32-19-7-5-4-6-16(19)2/h4-11,18,29H,12-14H2,1-3H3,(H,26,30,31)