2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C17H19N5O2S/c1-12-3-5-13(6-4-12)25-8-7-18-15(23)10-22-11-19-16-14(17(22)24)9-20-21(16)2/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,23)