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

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-piazthiol-4-yl-acetamide Formula: C19H13N7OS2 MolecularWeight: 419.48282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC5=NSN=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC5=NSN=C54

InChI

InChI=1S/C19H13N7OS2/c27-16(23-14-7-4-8-15-17(14)25-29-24-15)10-28-19-13-9-22-26(18(13)20-11-21-19)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,23,27)