2-[4-azanyl-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-azanyl-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-3-methyl-5-(4-phenoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-ethanone Formula: C24H24N6O2S MolecularWeight: 460.55136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)N3CCCC3)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)N3CCCC3)C4=CC=C(C=C4)OC5=CC=CC=C5)N

InChI

InChI=1S/C24H24N6O2S/c1-16-21-22(25)30(17-9-11-19(12-10-17)32-18-7-3-2-4-8-18)24(26-23(21)28-27-16)33-15-20(31)29-13-5-6-14-29/h2-4,7-12H,5-6,13-15,25H2,1H3