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

Systemtic Name: N-(1,2-diphenylethyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,2-diphenylethyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,2-diphenylethyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,2-diphenylethyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1,2-diphenylethyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-27-21-18(13-25-27)22(24-15-23-21)29-14-20(28)26-19(17-10-6-3-7-11-17)12-16-8-4-2-5-9-16/h2-11,13,15,19H,12,14H2,1H3,(H,26,28)