5-nitro-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitro-furan-2-carboxamide CAS Name: 5-nitro-N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitro-2-furamide Formula: C19H16N6O5 MolecularWeight: 408.36754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O5/c26-18(15-6-7-16(30-15)25(28)29)20-8-9-24-17-14(10-22-24)19(27)23(12-21-17)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,20,26)