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

Systemtic Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C19H20N6O2S MolecularWeight: 396.4661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCC(=O)NC3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCC(=O)NC3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C19H20N6O2S/c1-24-18-15(11-22-24)19(21-12-20-18)28-10-8-16(26)23-13-4-6-14(7-5-13)25-9-2-3-17(25)27/h4-7,11-12H,2-3,8-10H2,1H3,(H,23,26)