1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-8-(4-methoxyphenoxy)-3,7-dimethyl-xanthine Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C21H19ClN4O4/c1-24-17-18(23-20(24)30-15-10-8-14(29-3)9-11-15)25(2)21(28)26(19(17)27)12-13-6-4-5-7-16(13)22/h4-11H,12H2,1-3H3