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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-phenylmethoxyphenoxy)purine-2,6-dione Openeye Name: 8-(4-benzyloxyphenoxy)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-phenylmethoxyphenoxy)purine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-phenylmethoxyphenoxy)purine-2,6-dione Traditional Name: 8-(4-benzoxyphenoxy)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-xanthine Formula: C27H22Cl2N4O4 MolecularWeight: 537.39398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC(=C(C=C5)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC(=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C27H22Cl2N4O4/c1-31-23-24(32(2)27(35)33(25(23)34)15-18-8-13-21(28)22(29)14-18)30-26(31)37-20-11-9-19(10-12-20)36-16-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3