7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-benzyloxyphenyl)methylene]hydrazino]-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-benzoxybenzylidene)hydrazino]-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C22H22N6O4 MolecularWeight: 434.44788

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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)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)CCO

InChI

InChI=1S/C22H22N6O4/c1-27-19-18(20(30)25-22(27)31)28(11-12-29)21(24-19)26-23-13-15-7-9-17(10-8-15)32-14-16-5-3-2-4-6-16/h2-10,13,29H,11-12,14H2,1H3,(H,24,26)(H,25,30,31)/b23-13+