4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propyl]amino]benzamide IUPAC Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propanoylamino]benzamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2S/c1-13(20(29)26-15-9-7-14(8-10-15)18(22)28)30-21-17-11-25-27(19(17)23-12-24-21)16-5-3-2-4-6-16/h2-13H,1H3,(H2,22,28)(H,26,29)