3-[2-(azepan-1-yl)pyrimidin-4-yl]-5-chloranyl-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 3-[2-(azepan-1-yl)pyrimidin-4-yl]-5-chloranyl-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-[2-(azepan-1-yl)pyrimidin-4-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-[2-(1-azepanyl)-4-pyrimidinyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-[2-(azepan-1-yl)pyrimidin-4-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[2-(azepan-1-yl)pyrimidin-4-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridine Formula: C17H18ClN5 MolecularWeight: 327.81132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=CC(=N2)C3=CNC4=NC=C(C=C34)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC=CC(=N2)C3=CNC4=NC=C(C=C34)Cl

InChI

InChI=1S/C17H18ClN5/c18-12-9-13-14(11-21-16(13)20-10-12)15-5-6-19-17(22-15)23-7-3-1-2-4-8-23/h5-6,9-11H,1-4,7-8H2,(H,20,21)