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

Systemtic Name: 3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C28H26N6O2 MolecularWeight: 478.54504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)/C5=CC=CC=C5

InChI

InChI=1S/C28H26N6O2/c1-20(23-16-10-5-11-17-23)30-31-27-29-25-24(33(27)18-21-12-6-3-7-13-21)26(35)34(28(36)32(25)2)19-22-14-8-4-9-15-22/h3-17H,18-19H2,1-2H3,(H,29,31)/b30-20+