2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide

Systemtic Name: 2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Openeye Name: 2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide CAS Name: 2-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Traditional Name: 2-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propionamide Formula: C16H17N5OS MolecularWeight: 327.40408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C16H17N5OS/c1-10(2)15(22)20-12-5-3-4-11(6-12)8-23-16-13-7-19-21-14(13)17-9-18-16/h3-7,9-10H,8H2,1-2H3,(H,20,22)(H,17,18,19,21)