N-[(5-bromanylthiophen-2-yl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-enyl-ethanamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-prop-2-enylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C16H16BrN5OS2 MolecularWeight: 438.36514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CC=C)CC3=CC=C(S3)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CC=C)CC3=CC=C(S3)Br

InChI

InChI=1S/C16H16BrN5OS2/c1-3-6-22(8-11-4-5-13(17)25-11)14(23)9-24-16-12-7-20-21(2)15(12)18-10-19-16/h3-5,7,10H,1,6,8-9H2,2H3