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

Systemtic Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: (2R)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: (2R)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2S/c1-18-13-14-23(34-2)22(15-18)31-26(33)24(19-9-5-3-6-10-19)35-27-21-16-30-32(25(21)28-17-29-27)20-11-7-4-8-12-20/h3-17,24H,1-2H3,(H,31,33)/t24-/m1/s1