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

Systemtic Name: N-[3-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]phenyl]-2-furamide Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C19H16N6O3S/c1-25-17-14(9-22-25)19(21-11-20-17)29-10-16(26)23-12-4-2-5-13(8-12)24-18(27)15-6-3-7-28-15/h2-9,11H,10H2,1H3,(H,23,26)(H,24,27)