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

Systemtic Name: 3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(methylthio)xanthine Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2SC)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2SC)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C17H20N4O4S/c1-10-6-4-5-7-12(10)25-9-11(22)8-21-13-14(18-17(21)26-3)20(2)16(24)19-15(13)23/h4-7,11,22H,8-9H2,1-3H3,(H,19,23,24)