8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-xanthine Formula: C23H23BrN6O5 MolecularWeight: 543.36992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CC(COC4=CC=CC=C4)O

InChI

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