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

Systemtic Name: 1-methyl-5-[3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-5-[3-oxo-3-[4-(2-thienylsulfonyl)piperazin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-5-[3-oxo-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-5-[3-oxo-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-keto-3-[4-(2-thienylsulfonyl)piperazino]propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H20N6O4S2 MolecularWeight: 436.5085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O4S2/c1-20-16-13(11-19-20)17(25)22(12-18-16)5-4-14(24)21-6-8-23(9-7-21)29(26,27)15-3-2-10-28-15/h2-3,10-12H,4-9H2,1H3