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

Systemtic Name: 2-[4-azanyl-5-(3,4-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-amino-5-(3,4-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-5-(3,4-dimethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-amino-5-(3,4-dimethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-5-(3,4-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-ethanone Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6OS/c1-12-6-7-15(10-13(12)2)26-18(21)17-14(3)23-24-19(17)22-20(26)28-11-16(27)25-8-4-5-9-25/h6-7,10H,4-5,8-9,11,21H2,1-3H3