8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 8-[2-[(4-bromophenyl)methylene]hydrazino]-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(4-bromobenzylidene)hydrazino]-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-xanthine Formula: C21H19BrN6O3 MolecularWeight: 483.31796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN6O3/c1-27-18-17(19(30)25-21(27)31)28(12-16(29)14-5-3-2-4-6-14)20(24-18)26-23-11-13-7-9-15(22)10-8-13/h2-11,16,29H,12H2,1H3,(H,24,26)(H,25,30,31)