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

Systemtic Name: 8-[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-3-methyl-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)-3-methyl-purine-2,6-dione CAS Name: 8-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C23H23BrN6O5 MolecularWeight: 543.36992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=C(C=CC(=C3)Br)OC)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=C(C=CC(=C3)Br)OC)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C23H23BrN6O5/c1-29-20-19(21(32)27-23(29)33)30(12-16(31)13-35-17-6-4-3-5-7-17)22(26-20)28-25-11-14-10-15(24)8-9-18(14)34-2/h3-11,16,31H,12-13H2,1-2H3,(H,26,28)(H,27,32,33)