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

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H17ClN6O2S MolecularWeight: 452.91668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H17ClN6O2S/c1-13(29)26-18-8-7-14(9-17(18)22)27-19(30)11-31-21-16-10-25-28(20(16)23-12-24-21)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,26,29)(H,27,30)