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

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

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H14N6OS/c1-10(15(23)21-13-6-4-3-5-11(13)7-17)24-16-12-8-20-22(2)14(12)18-9-19-16/h3-6,8-10H,1-2H3,(H,21,23)