7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-7-(2-hydroxyethyl)-1,3-dimethyl-xanthine Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CC=C3)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CC=C3)CCO

InChI

InChI=1S/C16H18N6O3/c1-20-13-12(14(24)21(2)16(20)25)22(8-9-23)15(18-13)19-17-10-11-6-4-3-5-7-11/h3-7,10,23H,8-9H2,1-2H3,(H,18,19)/b17-10+