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

Systemtic Name: N-(2-methyl-1-thiophen-2-yl-propyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-methyl-1-(2-thienyl)propyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-methyl-1-thiophen-2-ylpropyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-methyl-1-thiophen-2-ylpropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-methyl-1-(2-thienyl)propyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC=CS1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS2/c1-14(2)19(17-9-6-10-28-17)25-18(27)12-29-21-16-11-24-26(20(16)22-13-23-21)15-7-4-3-5-8-15/h3-11,13-14,19H,12H2,1-2H3,(H,25,27)