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

Systemtic Name: 8-[(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C22H21BrN6O4 MolecularWeight: 513.34394

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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)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=C(C=CC(=C3)Br)OC)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN6O4/c1-28-19-18(20(30)26-22(28)31)29(10-11-33-16-6-4-3-5-7-16)21(25-19)27-24-13-14-12-15(23)8-9-17(14)32-2/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,26,30,31)/b24-13+