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

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methyl-1-piperidyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperidinyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpiperidino)-7-(4-nitrobenzyl)xanthine Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24N6O4/c1-13-8-10-24(11-9-13)19-21-17-16(18(27)23(3)20(28)22(17)2)25(19)12-14-4-6-15(7-5-14)26(29)30/h4-7,13H,8-12H2,1-3H3