3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[[4-(2-pyrimidyl)piperazino]methyl]-1H-pyrrolo[2,3-b]pyridine Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=NC=CC=N4

InChI

InChI=1S/C16H18N6/c1-3-14-13(11-20-15(14)17-4-1)12-21-7-9-22(10-8-21)16-18-5-2-6-19-16/h1-6,11H,7-10,12H2,(H,17,20)