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

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C20H23BrN6OS MolecularWeight: 475.40522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

InChI

InChI=1S/C20H23BrN6OS/c1-12-7-9-26(10-8-12)16(28)11-29-20-23-19-17(13(2)24-25-19)18(22)27(20)15-5-3-14(21)4-6-15/h3-6,12H,7-11,22H2,1-2H3