N-[2-(4-methylphenoxy)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methylphenoxy)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(4-methylphenoxy)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(4-methylphenoxy)phenyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(4-methylphenoxy)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-(4-methylphenoxy)phenyl]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H19N5O2S/c1-14-7-9-15(10-8-14)28-18-6-4-3-5-17(18)25-19(27)12-29-21-16-11-24-26(2)20(16)22-13-23-21/h3-11,13H,12H2,1-2H3,(H,25,27)