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

Systemtic Name: 7-ethyl-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-benzyloxyphenyl)methylene]hydrazino]-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-benzoxybenzylidene)hydrazino]-7-ethyl-3-methyl-xanthine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H22N6O3/c1-3-28-18-19(27(2)22(30)25-20(18)29)24-21(28)26-23-13-15-9-11-17(12-10-15)31-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,24,26)(H,25,29,30)/b23-13+