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

Systemtic Name: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-nitrobenzyl)-8-piperidino-xanthine Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O4/c1-21-16-15(17(26)22(2)19(21)27)24(18(20-16)23-10-4-3-5-11-23)12-13-6-8-14(9-7-13)25(28)29/h6-9H,3-5,10-12H2,1-2H3