1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazino]ethyl]xanthine Formula: C19H23N7O4 MolecularWeight: 413.43042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O4/c1-21-17-16(18(27)22(2)19(21)28)25(13-20-17)12-9-23-7-10-24(11-8-23)14-3-5-15(6-4-14)26(29)30/h3-6,13H,7-12H2,1-2H3