4-[2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]ethyl]amino]benzamide IUPAC Name: 4-[[2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]benzamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H18N6O2S/c22-19(29)15-6-8-16(9-7-15)26-18(28)12-30-21-17-10-25-27(20(17)23-13-24-21)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H2,22,29)(H,26,28)