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

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-thienyl)ethylcarbamoyl]acetamide CAS Name: N-[oxo-(2-thiophen-2-ylethylamino)methyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide Formula: C20H18N6O2S2 MolecularWeight: 438.52592

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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)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C20H18N6O2S2/c27-17(25-20(28)21-9-8-15-7-4-10-29-15)12-30-19-16-11-24-26(18(16)22-13-23-19)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H2,21,25,27,28)