8-[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-xanthine Formula: C24H25BrN6O5 MolecularWeight: 557.3965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN6O5/c1-29-21-20(22(33)30(2)24(29)34)31(13-17(32)14-36-18-7-5-4-6-8-18)23(27-21)28-26-12-15-11-16(25)9-10-19(15)35-3/h4-12,17,32H,13-14H2,1-3H3,(H,27,28)