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

Systemtic Name: 5-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H20N6O3S/c29-19(25-8-10-26(11-9-25)22(31)18-7-4-12-32-18)14-27-15-23-20-17(21(27)30)13-24-28(20)16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2