N-(4-bromanyl-3-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]acetamide Formula: C19H22BrN7O MolecularWeight: 444.32828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C)Br

InChI

InChI=1S/C19H22BrN7O/c1-13-9-14(3-4-16(13)20)24-17(28)11-26-5-7-27(8-6-26)19-15-10-23-25(2)18(15)21-12-22-19/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,24,28)