7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-8-ethylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-8-ethylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-ethylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(ethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-(ethylthio)-3-methyl-xanthine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C19H24N4O4S/c1-4-12-6-8-14(9-7-12)27-11-13(24)10-23-15-16(20-19(23)28-5-2)22(3)18(26)21-17(15)25/h6-9,13,24H,4-5,10-11H2,1-3H3,(H,21,25,26)