8-chloranyl-7-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(4,5-dimethoxy-2-methyl-benzyl)-1,3-dimethyl-xanthine Formula: C17H19ClN4O4 MolecularWeight: 378.81016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)OC)OC

InChI

InChI=1S/C17H19ClN4O4/c1-9-6-11(25-4)12(26-5)7-10(9)8-22-13-14(19-16(22)18)20(2)17(24)21(3)15(13)23/h6-7H,8H2,1-5H3