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

Systemtic Name: 1-methyl-5-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-5-[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-5-[2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-5-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H20N6O4S2 MolecularWeight: 436.5085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C17H20N6O4S2/c1-12-3-4-15(28-12)29(26,27)23-7-5-21(6-8-23)14(24)10-22-11-18-16-13(17(22)25)9-19-20(16)2/h3-4,9,11H,5-8,10H2,1-2H3