1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine Formula: C22H22BrN5O3 MolecularWeight: 484.34578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H22BrN5O3/c1-26-18-19(25-21(26)24-12-14-6-10-17(31-3)11-7-14)27(2)22(30)28(20(18)29)13-15-4-8-16(23)9-5-15/h4-11H,12-13H2,1-3H3,(H,24,25)