3-butyl-8-(3-chloranyl-4,5-dimethoxy-phenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-chloranyl-4,5-dimethoxy-phenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 3-butyl-8-(3-chloro-4,5-dimethoxy-phenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 3-butyl-8-(3-chloro-4,5-dimethoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-8-(3-chloro-4,5-dimethoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 3-butyl-8-(3-chloro-4,5-dimethoxy-phenyl)-7-o-anisyl-xanthine Formula: C25H27ClN4O5 MolecularWeight: 498.95868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)Cl)OC)OC)CC4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)Cl)OC)OC)CC4=CC=CC=C4OC

InChI

InChI=1S/C25H27ClN4O5/c1-5-6-11-29-23-20(24(31)28-25(29)32)30(14-15-9-7-8-10-18(15)33-2)22(27-23)16-12-17(26)21(35-4)19(13-16)34-3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,28,31,32)