3-methyl-7-[(2E)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]ethyl]-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2E)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[(2E)-2-[(E)-(4-nitrophenyl)methylenehydrazono]ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[(2E)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(2E)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]ethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[(2E)-2-[(E)-(4-nitrobenzylidene)hydrazono]ethyl]-8-piperidino-xanthine Formula: C20H22N8O4 MolecularWeight: 438.43988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NN=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C/C=N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N8O4/c1-25-17-16(18(29)24-20(25)30)27(19(23-17)26-10-3-2-4-11-26)12-9-21-22-13-14-5-7-15(8-6-14)28(31)32/h5-9,13H,2-4,10-12H2,1H3,(H,24,29,30)/b21-9+,22-13+