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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C17H19N5OS2 MolecularWeight: 373.49566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C17H19N5OS2/c1-12-3-5-13(6-4-12)24-8-7-18-15(23)10-25-17-14-9-21-22(2)16(14)19-11-20-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,23)