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

Systemtic Name: 1,3-dimethyl-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)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-(4-benzoxybenzylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-xanthine Formula: C30H30N6O5 MolecularWeight: 554.5964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)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)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC(COC5=CC=CC=C5)O

InChI

InChI=1S/C30H30N6O5/c1-34-27-26(28(38)35(2)30(34)39)36(18-23(37)20-41-24-11-7-4-8-12-24)29(32-27)33-31-17-21-13-15-25(16-14-21)40-19-22-9-5-3-6-10-22/h3-17,23,37H,18-20H2,1-2H3,(H,32,33)