8-[2-(2-bromanyl-3-phenyl-prop-2-enylidene)hydrazinyl]-3-methyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-[2-(2-bromanyl-3-phenyl-prop-2-enylidene)hydrazinyl]-3-methyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 8-[2-(2-bromo-3-phenyl-prop-2-enylidene)hydrazino]-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[2-(2-bromo-3-phenylprop-2-enylidene)hydrazinyl]-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(2-bromo-3-phenylprop-2-enylidene)hydrazinyl]-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(2-bromo-3-phenyl-prop-2-enylidene)hydrazino]-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-xanthine Formula: C23H21BrN6O3 MolecularWeight: 509.35524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN6O3/c1-29-20-19(21(32)27-23(29)33)30(14-18(31)16-10-6-3-7-11-16)22(26-20)28-25-13-17(24)12-15-8-4-2-5-9-15/h2-13,18,31H,14H2,1H3,(H,26,28)(H,27,32,33)