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

Systemtic Name: N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C20H19N5OS2 MolecularWeight: 409.52776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H19N5OS2/c1-13-5-7-14(8-6-13)18(16-4-3-9-27-16)24-17(26)11-28-20-15-10-23-25(2)19(15)21-12-22-20/h3-10,12,18H,11H2,1-2H3,(H,24,26)