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

Systemtic Name: 2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-propargyl-acetamide Formula: C16H12N6O4 MolecularWeight: 352.30428

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O4/c1-2-7-17-14(23)9-20-10-18-15-11(16(20)24)8-19-21(15)12-5-3-4-6-13(12)22(25)26/h1,3-6,8,10H,7,9H2,(H,17,23)