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

Systemtic Name: 2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-3-methyl-5-(3-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-ethanone Formula: C19H22N6OS MolecularWeight: 382.48258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)N4CCCC4)C)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)N4CCCC4)C)N

InChI

InChI=1S/C19H22N6OS/c1-12-6-5-7-14(10-12)25-17(20)16-13(2)22-23-18(16)21-19(25)27-11-15(26)24-8-3-4-9-24/h5-7,10H,3-4,8-9,11,20H2,1-2H3