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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C19H20ClN7O5 MolecularWeight: 461.859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN7O5/c1-22-16-15(17(29)23(2)19(22)30)26(18(20)21-16)11-14(28)25-9-7-24(8-10-25)12-5-3-4-6-13(12)27(31)32/h3-6H,7-11H2,1-2H3