2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-pyrrolidino-ethanone Formula: C18H19N5OS MolecularWeight: 353.44136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4CCCC4

InChI

InChI=1S/C18H19N5OS/c1-13-4-6-14(7-5-13)23-17-15(10-21-23)18(20-12-19-17)25-11-16(24)22-8-2-3-9-22/h4-7,10,12H,2-3,8-9,11H2,1H3