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

Systemtic Name: 3,7-dimethyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-benzyloxyphenyl)methylene]hydrazino]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-benzoxybenzylidene)hydrazino]-3,7-dimethyl-xanthine Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3/c1-26-17-18(27(2)21(29)24-19(17)28)23-20(26)25-22-12-14-8-10-16(11-9-14)30-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,23,25)(H,24,28,29)/b22-12+