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

Systemtic Name: N-[4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]benzamide CAS Name: N-[4-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]benzamide Traditional Name: N-[4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]phenyl]benzamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

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