N-(2-methoxy-5-methyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-10-4-5-13(23-3)12(6-10)20-14(22)8-24-16-11-7-19-21(2)15(11)17-9-18-16/h4-7,9H,8H2,1-3H3,(H,20,22)