8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[2-[(4-bromophenyl)methylene]hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[N'-(4-bromobenzylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-xanthine Formula: C23H23BrN6O4 MolecularWeight: 527.37052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)Br)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)Br)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C23H23BrN6O4/c1-28-20-19(21(32)29(2)23(28)33)30(13-17(31)14-34-18-6-4-3-5-7-18)22(26-20)27-25-12-15-8-10-16(24)11-9-15/h3-12,17,31H,13-14H2,1-2H3,(H,26,27)