3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-(2-oxidanylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-(2-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-(2-hydroxypropylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-8-(2-hydroxypropylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-(2-hydroxypropylthio)-3-methyl-xanthine Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)O

Isomeric SMILES

CC(CSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)O

InChI

InChI=1S/C18H22N4O5S/c1-11(23)10-28-18-19-15-14(16(25)20-17(26)21(15)2)22(18)8-12(24)9-27-13-6-4-3-5-7-13/h3-7,11-12,23-24H,8-10H2,1-2H3,(H,20,25,26)