1-(2-nitrophenyl)-5-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-nitrophenyl)-5-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-nitrophenyl)-5-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-nitrophenyl)-5-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-nitrophenyl)-5-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H19N7O5S MolecularWeight: 493.49516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C22H19N7O5S/c30-19(25-7-9-26(10-8-25)22(32)18-6-3-11-35-18)13-27-14-23-20-15(21(27)31)12-24-28(20)16-4-1-2-5-17(16)29(33)34/h1-6,11-12,14H,7-10,13H2