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

Systemtic Name: 3-methyl-7-[(2E)-2-(phenylhydrazinylidene)ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[(2E)-2-(phenylhydrazono)ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[(2E)-2-(phenylhydrazinylidene)ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(2E)-2-(phenylhydrazinylidene)ethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[(2E)-2-(phenylhydrazono)ethyl]-8-piperidino-xanthine Formula: C19H23N7O2 MolecularWeight: 381.43162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NNC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C/C=N/NC4=CC=CC=C4

InChI

InChI=1S/C19H23N7O2/c1-24-16-15(17(27)22-19(24)28)26(18(21-16)25-11-6-3-7-12-25)13-10-20-23-14-8-4-2-5-9-14/h2,4-5,8-10,23H,3,6-7,11-13H2,1H3,(H,22,27,28)/b20-10+