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

Systemtic Name: 2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]-N-phenyl-benzamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

InChI

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