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

Systemtic Name: 7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(phenylsulfanylmethyl)purine-2,6-dione Openeye Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(phenylsulfanylmethyl)purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(phenylthio)methyl]purine-2,6-dione IUPAC Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(phenylsulfanylmethyl)purine-2,6-dione Traditional Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-[(phenylthio)methyl]xanthine Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C(=NC3=C2C(=O)NC(=O)N3C)CSC4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C(=NC3=C2C(=O)NC(=O)N3C)CSC4=CC=CC=C4)O

InChI

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