1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[2-(pyridin-2-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[2-(pyridin-2-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(o-tolylmethyl)-8-[2-(2-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[2-(2-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[2-(pyridin-2-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylbenzyl)-8-[N'-(2-pyridylmethylene)hydrazino]xanthine Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NN=CC4=CC=CC=N4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NN=CC4=CC=CC=N4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H21N7O2/c1-14-8-4-5-9-15(14)13-28-17-18(26(2)21(30)27(3)19(17)29)24-20(28)25-23-12-16-10-6-7-11-22-16/h4-12H,13H2,1-3H3,(H,24,25)