N,N-dimethyl-4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N,N-dimethyl-4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzamide Openeye Name: N,N-dimethyl-4-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide CAS Name: N,N-dimethyl-4-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]benzamide IUPAC Name: N,N-dimethyl-4-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide Traditional Name: N,N-dimethyl-4-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]benzamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O2S/c1-27(2)22(30)15-8-10-16(11-9-15)26-19(29)13-31-21-18-12-25-28(20(18)23-14-24-21)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,26,29)