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

Systemtic Name: 1-methyl-5-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-5-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-5-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-5-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-[4-(2-thenyl)piperazino]ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C17H20N6O2S/c1-20-16-14(9-19-20)17(25)23(12-18-16)11-15(24)22-6-4-21(5-7-22)10-13-3-2-8-26-13/h2-3,8-9,12H,4-7,10-11H2,1H3