1-[[4-(4-bromanylphenoxy)phenyl]methyl]-8-methoxy-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[[4-(4-bromanylphenoxy)phenyl]methyl]-8-methoxy-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[[4-(4-bromophenoxy)phenyl]methyl]-8-methoxy-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[[4-(4-bromophenoxy)phenyl]methyl]-8-methoxy-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[[4-(4-bromophenoxy)phenyl]methyl]-8-methoxy-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[4-(4-bromophenoxy)benzyl]-8-methoxy-3,7-dimethyl-xanthine Formula: C21H19BrN4O4 MolecularWeight: 471.30396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC4=CC=C(C=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1OC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C21H19BrN4O4/c1-24-17-18(23-20(24)29-3)25(2)21(28)26(19(17)27)12-13-4-8-15(9-5-13)30-16-10-6-14(22)7-11-16/h4-11H,12H2,1-3H3