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

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H15N7O2S MolecularWeight: 429.4545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H15N7O2S/c22-10-14-6-8-15(9-7-14)26-21(30)27-18(29)12-31-20-17-11-25-28(19(17)23-13-24-20)16-4-2-1-3-5-16/h1-9,11,13H,12H2,(H2,26,27,29,30)