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

Systemtic Name: 1-methyl-5-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-5-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-5-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-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-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C17H18N6O3S/c1-20-15-12(9-19-20)16(25)23(11-18-15)10-14(24)21-4-6-22(7-5-21)17(26)13-3-2-8-27-13/h2-3,8-9,11H,4-7,10H2,1H3