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

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperazinyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpiperazino)-7-(4-nitrobenzyl)xanthine Formula: C19H23N7O4 MolecularWeight: 413.43042

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H23N7O4/c1-21-8-10-24(11-9-21)18-20-16-15(17(27)23(3)19(28)22(16)2)25(18)12-13-4-6-14(7-5-13)26(29)30/h4-7H,8-12H2,1-3H3