2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-[2-(phenylthio)phenyl]propionamide Formula: C25H27N7OS MolecularWeight: 473.59318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C25H27N7OS/c1-18(25(33)29-21-10-6-7-11-22(21)34-19-8-4-3-5-9-19)31-12-14-32(15-13-31)24-20-16-28-30(2)23(20)26-17-27-24/h3-11,16-18H,12-15H2,1-2H3,(H,29,33)