8-chloranyl-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2,5-dimethoxybenzyl)-1,3-dimethyl-xanthine Formula: C16H17ClN4O4 MolecularWeight: 364.78358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C16H17ClN4O4/c1-19-13-12(14(22)20(2)16(19)23)21(15(17)18-13)8-9-7-10(24-3)5-6-11(9)25-4/h5-7H,8H2,1-4H3