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

Systemtic Name: N-(4-ethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-ethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-ethylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(4-ethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-ethylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C17H19N5OS/c1-4-12-5-7-13(8-6-12)21-16(23)11(2)24-17-14-9-20-22(3)15(14)18-10-19-17/h5-11H,4H2,1-3H3,(H,21,23)