3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)/C4=CC=CC=C4

InChI

InChI=1S/C23H24N6O4/c1-15(16-9-5-3-6-10-16)26-27-22-24-20-19(21(31)25-23(32)28(20)2)29(22)13-17(30)14-33-18-11-7-4-8-12-18/h3-12,17,30H,13-14H2,1-2H3,(H,24,27)(H,25,31,32)/b26-15+