4-[2-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-3,3-dimethyl-piperazin-2-one

Systemtic Name: 4-[2-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-3,3-dimethyl-piperazin-2-one Openeye Name: 4-[2-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-3,3-dimethyl-piperazin-2-one CAS Name: 4-[2-[(6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]-3,3-dimethyl-2-piperazinone IUPAC Name: 4-[2-(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-3,3-dimethylpiperazin-2-one Traditional Name: 4-[2-[(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-3,3-dimethyl-piperazin-2-one Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)N4CCNC(=O)C4(C)C

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)N4CCNC(=O)C4(C)C

InChI

InChI=1S/C21H24N6O2S/c1-4-16-24-18-15(12-23-27(18)14-8-6-5-7-9-14)19(25-16)30-13-17(28)26-11-10-22-20(29)21(26,2)3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,29)