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

Systemtic Name: 3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(phenacylthio)xanthine Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2SCC(=O)C4=CC=CC=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2SCC(=O)C4=CC=CC=C4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C24H24N4O5S/c1-15-8-6-7-11-19(15)33-13-17(29)12-28-20-21(27(2)23(32)26-22(20)31)25-24(28)34-14-18(30)16-9-4-3-5-10-16/h3-11,17,29H,12-14H2,1-2H3,(H,26,31,32)