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

Systemtic Name: 3-methyl-8-morpholin-4-yl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-[2-(3-nitrophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-methyl-8-(4-morpholinyl)-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-morpholin-4-yl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-nitrophenyl)ethyl]-3-methyl-8-morpholino-xanthine Formula: C18H18N6O6 MolecularWeight: 414.37212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O6/c1-21-15-14(16(26)20-18(21)27)23(17(19-15)22-5-7-30-8-6-22)10-13(25)11-3-2-4-12(9-11)24(28)29/h2-4,9H,5-8,10H2,1H3,(H,20,26,27)