8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-xanthine Formula: C22H21BrN6O5 MolecularWeight: 529.34334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C(=O)C(=C3)Br)OC)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C(=O)C(=C3)Br)OC)CC(C4=CC=CC=C4)O

InChI

InChI=1S/C22H21BrN6O5/c1-28-19-17(20(32)26-22(28)33)29(11-15(30)13-6-4-3-5-7-13)21(25-19)27-24-10-12-8-14(23)18(31)16(9-12)34-2/h3-10,15,24,30H,11H2,1-2H3,(H,25,27)(H,26,32,33)