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

Systemtic Name: N-[4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]propanamide CAS Name: N-[4-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]phenyl]propanamide IUPAC Name: N-[4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]phenyl]propionamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2S/c1-2-20(29)26-16-10-8-15(9-11-16)19(28)13-30-22-18-12-25-27(21(18)23-14-24-22)17-6-4-3-5-7-17/h3-12,14H,2,13H2,1H3,(H,26,29)