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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C25H22N6O2 MolecularWeight: 438.48118

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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)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H22N6O2/c1-29-22-21(23(32)30(2)25(29)33)31(16-19-13-8-12-18-11-6-7-14-20(18)19)24(27-22)28-26-15-17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,27,28)/b26-15+