1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[4-(4-nitrophenyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazino]xanthine Formula: C18H21N7O4 MolecularWeight: 399.40384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H21N7O4/c1-20-14-15(21(2)18(27)22(3)16(14)26)19-17(20)24-10-8-23(9-11-24)12-4-6-13(7-5-12)25(28)29/h4-7H,8-11H2,1-3H3