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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: 2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-16-7-9-18(10-8-16)30-12-11-23-20(28)14-26-15-24-21-19(22(26)29)13-25-27(21)17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H,23,28)