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

Systemtic Name: 2-[4-azanyl-5-(5-chloranyl-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-yl-butan-1-one Openeye Name: 2-[4-amino-5-(5-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholino-butan-1-one CAS Name: 2-[[4-amino-5-(5-chloro-2-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 2-[4-amino-5-(5-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-ylbutan-1-one Traditional Name: 2-[[4-amino-5-(5-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-morpholino-butan-1-one Formula: C21H25ClN6O2S MolecularWeight: 460.9802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=C(C=CC(=C4)Cl)C)N)C

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=C(C=CC(=C4)Cl)C)N)C

InChI

InChI=1S/C21H25ClN6O2S/c1-4-16(20(29)27-7-9-30-10-8-27)31-21-24-19-17(13(3)25-26-19)18(23)28(21)15-11-14(22)6-5-12(15)2/h5-6,11,16H,4,7-10,23H2,1-3H3