1,3-dimethyl-7-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c1-20-16-15(17(26)21(2)18(20)27)22(10-19-16)9-14(25)23-7-3-4-11-8-12(24(28)29)5-6-13(11)23/h5-6,8,10H,3-4,7,9H2,1-2H3