8-(3-chloranyl-4,5-dimethoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(3-chloranyl-4,5-dimethoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(3-chloro-4,5-dimethoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(3-chloro-4,5-dimethoxyphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(3-chloro-4,5-dimethoxyphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(3-chloro-4,5-dimethoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C19H23ClN4O5 MolecularWeight: 422.86272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)Cl)OC)OC)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)Cl)OC)OC)CCOC

InChI

InChI=1S/C19H23ClN4O5/c1-5-6-24-17-14(18(25)22-19(24)26)23(7-8-27-2)16(21-17)11-9-12(20)15(29-4)13(10-11)28-3/h9-10H,5-8H2,1-4H3,(H,22,25,26)