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

Systemtic Name: N-(3-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]acetamide Formula: C18H20BrN7O MolecularWeight: 430.3017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H20BrN7O/c1-24-17-15(10-22-24)18(21-12-20-17)26-7-5-25(6-8-26)11-16(27)23-14-4-2-3-13(19)9-14/h2-4,9-10,12H,5-8,11H2,1H3,(H,23,27)