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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-phenylmethoxy-purine-2,6-dione Openeye Name: 8-benzyloxy-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-phenylmethoxypurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-phenylmethoxypurine-2,6-dione Traditional Name: 8-benzoxy-1-(4-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H19ClN4O3/c1-24-17-18(23-20(24)29-13-15-6-4-3-5-7-15)25(2)21(28)26(19(17)27)12-14-8-10-16(22)11-9-14/h3-11H,12-13H2,1-2H3