4-methyl-3-morpholin-4-yl-1-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 4-methyl-3-morpholin-4-yl-1-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-methyl-3-morpholino-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-methyl-3-(4-morpholinyl)pyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-methyl-3-morpholin-4-ylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-methyl-3-morpholino-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C19H22N6O7 MolecularWeight: 446.41398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(N=C2N3CCOCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(N=C2N3CCOCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H22N6O7/c1-22-15-16(18(27)20-19(22)28)24(21-17(15)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,20,27,28)