3-methyl-7-[(2E)-2-[(2-methylphenyl)hydrazinylidene]ethyl]-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2E)-2-[(2-methylphenyl)hydrazinylidene]ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[(2E)-2-(o-tolylhydrazono)ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[(2E)-2-[(2-methylphenyl)hydrazinylidene]ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(2E)-2-[(2-methylphenyl)hydrazinylidene]ethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[(2E)-2-(o-tolylhydrazono)ethyl]-8-piperidino-xanthine Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN=CCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC=C1N/N=C/CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H25N7O2/c1-14-8-4-5-9-15(14)24-21-10-13-27-16-17(25(2)20(29)23-18(16)28)22-19(27)26-11-6-3-7-12-26/h4-5,8-10,24H,3,6-7,11-13H2,1-2H3,(H,23,28,29)/b21-10+