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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC=CC(=N2)C3=CNC4=C3C=CC=N4

Isomeric SMILES

C1CNCCN(C1)C2=NC=CC(=N2)C3=CNC4=C3C=CC=N4

InChI

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