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

Systemtic Name: 4-methyl-1-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-3-piperidin-1-yl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-methyl-3-(1-piperidyl)pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-methyl-3-(1-piperidinyl)pyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-methyl-3-piperidin-1-ylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-methyl-3-piperidino-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C20H24N6O6 MolecularWeight: 444.44116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(N=C2N3CCCCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(N=C2N3CCCCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H24N6O6/c1-23-16-17(19(28)21-20(23)29)25(22-18(16)24-9-3-2-4-10-24)11-14(27)12-32-15-7-5-13(6-8-15)26(30)31/h5-8,14,27H,2-4,9-12H2,1H3,(H,21,28,29)