N-(2-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(2-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(2-bromophenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(2-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C19H22BrN7O MolecularWeight: 444.32828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Br)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Br)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

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