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

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-methyl-1-phenylbutyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-methyl-1-phenyl-butyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5OS/c1-13(2)9-16(14-7-5-4-6-8-14)23-17(25)11-26-19-15-10-22-24(3)18(15)20-12-21-19/h4-8,10,12-13,16H,9,11H2,1-3H3,(H,23,25)