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

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-morpholino-7-[2-(3-nitrophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-nitrophenyl)ethyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C19H20N6O6 MolecularWeight: 428.3987

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O6/c1-21-16-15(17(27)22(2)19(21)28)24(18(20-16)23-6-8-31-9-7-23)11-14(26)12-4-3-5-13(10-12)25(29)30/h3-5,10H,6-9,11H2,1-2H3