N-(2-cyanophenyl)-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2-cyanophenyl)-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-cyanophenyl)-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-cyanophenyl)-3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-cyanophenyl)-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-cyanophenyl)-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C16H14N6OS MolecularWeight: 338.38696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C16H14N6OS/c1-22-15-12(9-20-22)16(19-10-18-15)24-7-6-14(23)21-13-5-3-2-4-11(13)8-17/h2-5,9-10H,6-7H2,1H3,(H,21,23)