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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C20H13ClN6OS MolecularWeight: 420.87482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C20H13ClN6OS/c21-17-8-14(7-6-13(17)9-22)26-18(28)11-29-20-16-10-25-27(19(16)23-12-24-20)15-4-2-1-3-5-15/h1-8,10,12H,11H2,(H,26,28)