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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]purine-2,6-dione Openeye Name: 8-chloro-7-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-hydroxy-3-(4-propionylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H21ClN4O5 MolecularWeight: 420.84684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O5/c1-4-14(26)11-5-7-13(8-6-11)29-10-12(25)9-24-15-16(21-18(24)20)22(2)19(28)23(3)17(15)27/h5-8,12,25H,4,9-10H2,1-3H3