4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide

Systemtic Name: 4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide Openeye Name: 4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide CAS Name: 4-[[2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]benzamide Traditional Name: 4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propanoylamino]benzamide Formula: C20H24N8O2 MolecularWeight: 408.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H24N8O2/c1-13(20(30)25-15-5-3-14(4-6-15)17(21)29)27-7-9-28(10-8-27)19-16-11-24-26(2)18(16)22-12-23-19/h3-6,11-13H,7-10H2,1-2H3,(H2,21,29)(H,25,30)