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

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1-benzyl-8-[(2E)-2-benzylidenehydrazino]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 1-benzyl-8-[(2E)-2-benzylidenehydrazinyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-1-benzyl-3,7-dimethyl-xanthine Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1N/N=C/C3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H20N6O2/c1-25-17-18(23-20(25)24-22-13-15-9-5-3-6-10-15)26(2)21(29)27(19(17)28)14-16-11-7-4-8-12-16/h3-13H,14H2,1-2H3,(H,23,24)/b22-13+