N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H18N6O2S2 MolecularWeight: 462.54732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H18N6O2S2/c1-2-30-15-8-9-17-18(10-15)32-22(26-17)27-19(29)12-31-21-16-11-25-28(20(16)23-13-24-21)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,26,27,29)