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

Systemtic Name: 2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: 2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C17H15N7O5 MolecularWeight: 397.3449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N7O5/c1-2-7-18-17(27)21-14(25)9-22-10-19-15-11(16(22)26)8-20-23(15)12-5-3-4-6-13(12)24(28)29/h2-6,8,10H,1,7,9H2,(H2,18,21,25,27)