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

Systemtic Name: N-(cyclopropylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H16N6O2S/c24-14(22-17(25)21-11-6-7-11)9-26-16-13-8-20-23(15(13)18-10-19-16)12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9H2,(H2,21,22,24,25)