N-[4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]acetamide CAS Name: N-[4-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]acetamide Traditional Name: N-[4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]phenyl]acetamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O2S/c1-14(27)25-16-9-7-15(8-10-16)19(28)12-29-21-18-11-24-26(20(18)22-13-23-21)17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,25,27)