N-(furan-2-ylmethylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-furylmethylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-furfurylcarbamoyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC(=O)NCC4=CC=CO4

InChI

InChI=1S/C19H16N6O3S/c26-16(24-19(27)20-9-14-7-4-8-28-14)11-29-18-15-10-23-25(17(15)21-12-22-18)13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H2,20,24,26,27)