8-chloranyl-7-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(4-acetylphenoxy)-2-hydroxypropyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-acetylphenoxy)-2-hydroxypropyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-8-chloro-1,3-dimethyl-xanthine Formula: C18H19ClN4O5 MolecularWeight: 406.82026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C18H19ClN4O5/c1-10(24)11-4-6-13(7-5-11)28-9-12(25)8-23-14-15(20-17(23)19)21(2)18(27)22(3)16(14)26/h4-7,12,25H,8-9H2,1-3H3