1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-[2-(1-methyl-3-phenyl-prop-2-enylidene)hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-[N'-(1-methyl-3-phenyl-prop-2-enylidene)hydrazino]xanthine Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C)C=CC4=CC=CC=C4

Isomeric SMILES

CC(=NNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C)C=CC4=CC=CC=C4

InChI

InChI=1S/C26H28N6O4/c1-18(14-15-19-10-6-4-7-11-19)28-29-25-27-23-22(24(34)31(3)26(35)30(23)2)32(25)16-20(33)17-36-21-12-8-5-9-13-21/h4-15,20,33H,16-17H2,1-3H3,(H,27,29)