N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H18ClN5OS/c1-13-8-14(2)19(17(22)9-13)26-18(28)11-29-21-16-10-25-27(20(16)23-12-24-21)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,26,28)