methyl 4-[[4-(3-bromanyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-bromanyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]benzoic acid methyl ester Formula: C18H19BrN6O2 MolecularWeight: 431.28646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=NC=NC4=NNC(=C43)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=NC=NC4=NNC(=C43)Br

InChI

InChI=1S/C18H19BrN6O2/c1-27-18(26)13-4-2-12(3-5-13)10-24-6-8-25(9-7-24)17-14-15(19)22-23-16(14)20-11-21-17/h2-5,11H,6-10H2,1H3,(H,20,21,22,23)