N-(2-methoxy-5-methyl-phenyl)-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]acetamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H22N6O3S/c1-15-8-9-19(32-2)18(10-15)28-20(30)12-24-21(31)13-33-23-17-11-27-29(22(17)25-14-26-23)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,24,31)(H,28,30)