7-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H20N6O5/c1-12-8-16(13(2)26(12)14-6-5-7-15(9-14)27(31)32)17(28)10-25-11-22-19-18(25)20(29)24(4)21(30)23(19)3/h5-9,11H,10H2,1-4H3