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

Systemtic Name: 8-(3-chloranyl-4,5-dimethoxy-phenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(3-chloro-4,5-dimethoxy-phenyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(3-chloro-4,5-dimethoxyphenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-chloro-4,5-dimethoxyphenyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(3-chloro-4,5-dimethoxy-phenyl)-7-(2-methoxyethyl)xanthine Formula: C23H23ClN4O5 MolecularWeight: 470.90552

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC(=C(C(=C3)Cl)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC(=C(C(=C3)Cl)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O5/c1-31-10-9-27-18-21(25-20(27)15-11-16(24)19(33-3)17(12-15)32-2)28(23(30)26-22(18)29)13-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H,26,29,30)