2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-quinolin-5-yl-propanamide

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-quinolin-5-yl-propanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(5-quinolyl)propanamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-quinolin-5-ylpropanamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(5-quinolyl)propionamide Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H16N6OS/c1-11(26-18-13-9-22-24(2)16(13)20-10-21-18)17(25)23-15-7-3-6-14-12(15)5-4-8-19-14/h3-11H,1-2H3,(H,23,25)