1-methyl-3-(5-nitrofuran-2-yl)-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-methyl-3-(5-nitrofuran-2-yl)-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-isopropyl-1-methyl-3-(5-nitro-2-furyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-3-(5-nitro-2-furanyl)-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-methyl-3-(5-nitrofuran-2-yl)-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-isopropyl-1-methyl-3-(5-nitro-2-furyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C2=C(NN(C2=N1)C)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=O)C2=C(NN(C2=N1)C)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4/c1-6(2)11-14-12-9(13(19)15-11)10(16-17(12)3)7-4-5-8(22-7)18(20)21/h4-6,16H,1-3H3