4-[4-(4-azanyl-3-bromanyl-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]-1-methyl-piperazin-2-one

Systemtic Name: 4-[4-(4-azanyl-3-bromanyl-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]-1-methyl-piperazin-2-one Openeye Name: 4-[4-(4-amino-3-bromo-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]-1-methyl-piperazin-2-one CAS Name: 4-[4-(4-amino-3-bromo-1-pyrazolo[3,4-d]pyrimidinyl)cyclohexyl]-1-methyl-2-piperazinone IUPAC Name: 4-[4-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]-1-methylpiperazin-2-one Traditional Name: 4-[4-(4-amino-3-bromo-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]-1-methyl-piperazin-2-one Formula: C16H22BrN7O MolecularWeight: 408.29618

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)C2CCC(CC2)N3C4=C(C(=NC=N4)N)C(=N3)Br

Isomeric SMILES

CN1CCN(CC1=O)C2CCC(CC2)N3C4=C(C(=NC=N4)N)C(=N3)Br

InChI

InChI=1S/C16H22BrN7O/c1-22-6-7-23(8-12(22)25)10-2-4-11(5-3-10)24-16-13(14(17)21-24)15(18)19-9-20-16/h9-11H,2-8H2,1H3,(H2,18,19,20)