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

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-benzyloxyphenyl)methylene]hydrazino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-benzoxybenzylidene)hydrazino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C26H30N6O5 MolecularWeight: 506.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C26H30N6O5/c1-17(2)36-16-20(33)14-32-22-23(31(3)26(35)29-24(22)34)28-25(32)30-27-13-18-9-11-21(12-10-18)37-15-19-7-5-4-6-8-19/h4-13,17,20,33H,14-16H2,1-3H3,(H,28,30)(H,29,34,35)/b27-13+