N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dichloro-2-pyridyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3,5-dichloro-2-pyridinyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3,5-dichloropyridin-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3,5-dichloro-2-pyridyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C18H12Cl2N6OS MolecularWeight: 431.29848

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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=C(C=C(C=N4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=C(C=N4)Cl)Cl

InChI

InChI=1S/C18H12Cl2N6OS/c19-11-6-14(20)16(21-7-11)25-15(27)9-28-18-13-8-24-26(17(13)22-10-23-18)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,21,25,27)