2-(1-methylindol-3-yl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]ethanamide

Systemtic Name: 2-(1-methylindol-3-yl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]ethanamide Openeye Name: 2-(1-methylindol-3-yl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]acetamide CAS Name: 2-(1-methyl-3-indolyl)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]acetamide IUPAC Name: 2-(1-methylindol-3-yl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]acetamide Traditional Name: 2-(1-methylindol-3-yl)-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide Formula: C23H27N7OS MolecularWeight: 449.57178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCC5

InChI

InChI=1S/C23H27N7OS/c1-28-15-16(17-7-3-4-8-19(17)28)13-20(31)24-9-12-30-22-18(14-25-30)21(26-23(27-22)32-2)29-10-5-6-11-29/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,24,31)