N-(5-acetamido-2-methoxy-phenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

InChI

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