N-[(5-bromanylthiophen-2-yl)methyl]-N-ethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-N-ethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N-ethyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C20H18BrN5OS2 MolecularWeight: 488.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H18BrN5OS2/c1-2-25(11-15-8-9-17(21)29-15)18(27)12-28-20-16-10-24-26(19(16)22-13-23-20)14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3