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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-N-isopropyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide Traditional Name: N-benzyl-N-isopropyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-13(2)23(10-14-7-5-4-6-8-14)16(24)11-25-18-15-9-21-22(3)17(15)19-12-20-18/h4-9,12-13H,10-11H2,1-3H3