3-methyl-1,7-bis(phenylmethyl)-8-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(phenylmethyl)-8-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-[(2E)-2-(2-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-1,7-bis(phenylmethyl)-8-[(2E)-2-(2-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-[(N'E)-N'-(2-pyridylmethylene)hydrazino]xanthine Formula: C26H23N7O2 MolecularWeight: 465.50652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NN=CC4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N/N=C/C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N7O2/c1-31-23-22(24(34)33(26(31)35)18-20-12-6-3-7-13-20)32(17-19-10-4-2-5-11-19)25(29-23)30-28-16-21-14-8-9-15-27-21/h2-16H,17-18H2,1H3,(H,29,30)/b28-16+