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

Systemtic Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C19H21N7O5 MolecularWeight: 427.41394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O5/c1-21-17-16(18(28)22(2)19(21)29)25(12-20-17)11-15(27)24-9-7-23(8-10-24)13-3-5-14(6-4-13)26(30)31/h3-6,12H,7-11H2,1-2H3