3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 8-[2-[(4-benzyloxyphenyl)methylene]hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-(4-benzoxybenzylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C29H28N6O5 MolecularWeight: 540.56982

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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)OCC4=CC=CC=C4)CC(COC5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC(COC5=CC=CC=C5)O

InChI

InChI=1S/C29H28N6O5/c1-34-26-25(27(37)32-29(34)38)35(17-22(36)19-40-23-10-6-3-7-11-23)28(31-26)33-30-16-20-12-14-24(15-13-20)39-18-21-8-4-2-5-9-21/h2-16,22,36H,17-19H2,1H3,(H,31,33)(H,32,37,38)