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

Systemtic Name: 2-[4-azanyl-5-(2,5-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[4-amino-5-(2,5-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[[4-amino-5-(2,5-dimethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[4-amino-5-(2,5-dimethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[[4-amino-5-(2,5-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-butan-1-one Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)SC2=NC3=NN=C(C3=C(N2C4=C(C=CC(=C4)C)C)N)C

Isomeric SMILES

CCC(C(=O)N1CCCC1)SC2=NC3=NN=C(C3=C(N2C4=C(C=CC(=C4)C)C)N)C

InChI

InChI=1S/C22H28N6OS/c1-5-17(21(29)27-10-6-7-11-27)30-22-24-20-18(15(4)25-26-20)19(23)28(22)16-12-13(2)8-9-14(16)3/h8-9,12,17H,5-7,10-11,23H2,1-4H3