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

Systemtic Name: 8-(3-chloranyl-4,5-dimethoxy-phenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3-chloro-4,5-dimethoxy-phenyl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(3-chloro-4,5-dimethoxyphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3-chloro-4,5-dimethoxyphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3-chloro-4,5-dimethoxy-phenyl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C20H25ClN4O5 MolecularWeight: 436.8893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)Cl)OC)OC)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)Cl)OC)OC)CCOC

InChI

InChI=1S/C20H25ClN4O5/c1-11(2)10-25-18-15(19(26)23-20(25)27)24(6-7-28-3)17(22-18)12-8-13(21)16(30-5)14(9-12)29-4/h8-9,11H,6-7,10H2,1-5H3,(H,23,26,27)