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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-m-anisyl-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:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C16H17N5O2S/c1-21-15-13(8-20-21)16(19-10-18-15)24-9-14(22)17-7-11-4-3-5-12(6-11)23-2/h3-6,8,10H,7,9H2,1-2H3,(H,17,22)