3-methyl-8-morpholin-4-yl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-morpholin-4-yl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-morpholino-xanthine Formula: C19H22N6O7 MolecularWeight: 446.41398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)C[C@H](COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H22N6O7/c1-22-16-15(17(27)21-19(22)28)24(18(20-16)23-6-8-31-9-7-23)10-13(26)11-32-14-4-2-12(3-5-14)25(29)30/h2-5,13,26H,6-11H2,1H3,(H,21,27,28)/t13-/m1/s1