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

Systemtic Name: 8-[2-(2-bromanyl-3-phenyl-prop-2-enylidene)hydrazinyl]-3-methyl-7-[3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-[2-(2-bromo-3-phenyl-prop-2-enylidene)hydrazino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[2-(2-bromo-3-phenylprop-2-enylidene)hydrazinyl]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(2-bromo-3-phenylprop-2-enylidene)hydrazinyl]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(2-bromo-3-phenyl-prop-2-enylidene)hydrazino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-xanthine Formula: C25H25BrN6O4 MolecularWeight: 553.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NN=CC(=CC4=CC=CC=C4)Br)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NN=CC(=CC4=CC=CC=C4)Br)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C25H25BrN6O4/c1-16-7-6-10-20(11-16)36-15-19(33)14-32-21-22(31(2)25(35)29-23(21)34)28-24(32)30-27-13-18(26)12-17-8-4-3-5-9-17/h3-13,19,33H,14-15H2,1-2H3,(H,28,30)(H,29,34,35)