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

Systemtic Name: 7-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2E)-2-[(2,4-dinitrophenyl)hydrazono]ethyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2E)-2-[(2,4-dinitrophenyl)hydrazono]ethyl]-3-methyl-8-piperidino-xanthine Formula: C19H21N9O6 MolecularWeight: 471.42674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C/C=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H21N9O6/c1-24-16-15(17(29)22-19(24)30)26(18(21-16)25-8-3-2-4-9-25)10-7-20-23-13-6-5-12(27(31)32)11-14(13)28(33)34/h5-7,11,23H,2-4,8-10H2,1H3,(H,22,29,30)/b20-7+