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

Systemtic Name: 2-[4-azanyl-5-(3-chloranyl-4-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[4-amino-5-(3-chloro-4-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[[4-amino-5-(3-chloro-4-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[4-amino-5-(3-chloro-4-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[[4-amino-5-(3-chloro-4-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-butan-1-one Formula: C21H25ClN6OS MolecularWeight: 444.9808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN6OS/c1-4-16(20(29)27-9-5-6-10-27)30-21-24-19-17(13(3)25-26-19)18(23)28(21)14-8-7-12(2)15(22)11-14/h7-8,11,16H,4-6,9-10,23H2,1-3H3