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

Systemtic Name: 2-[4-azanyl-5-(5-chloranyl-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-amino-5-(5-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-5-(5-chloro-2-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-amino-5-(5-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-5-(5-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-ethanone Formula: C19H21ClN6OS MolecularWeight: 416.92764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN6OS/c1-11-5-6-13(20)9-14(11)26-17(21)16-12(2)23-24-18(16)22-19(26)28-10-15(27)25-7-3-4-8-25/h5-6,9H,3-4,7-8,10,21H2,1-2H3