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

Systemtic Name: 7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-(isopropylthio)-3-methyl-xanthine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SC(C)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SC(C)C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C20H26N4O4S/c1-5-13-6-8-15(9-7-13)28-11-14(25)10-24-16-17(21-20(24)29-12(2)3)23(4)19(27)22-18(16)26/h6-9,12,14,25H,5,10-11H2,1-4H3,(H,22,26,27)