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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-fluorobenzyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C16H16FN5OS MolecularWeight: 345.394543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H16FN5OS/c1-10(15(23)18-7-11-3-5-12(17)6-4-11)24-16-13-8-21-22(2)14(13)19-9-20-16/h3-6,8-10H,7H2,1-2H3,(H,18,23)