2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-(tetrahydrofurfuryl)acetamide Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c25-16(19-8-12-4-3-7-29-12)10-22-11-20-17-13(18(22)26)9-21-23(17)14-5-1-2-6-15(14)24(27)28/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,19,25)