1,3,7-trimethyl-8-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-[(3-benzyloxyphenyl)methylene]hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(3-benzoxybenzylidene)hydrazino]-1,3,7-trimethyl-xanthine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N/N=C/C3=CC(=CC=C3)OCC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

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