1-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1-cyano-2-(pyridin-3-ylmethyl)guanidine

Systemtic Name: 1-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1-cyano-2-(pyridin-3-ylmethyl)guanidine Openeye Name: 1-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-1-cyano-2-(3-pyridylmethyl)guanidine CAS Name: 1-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-1-cyano-2-(3-pyridinylmethyl)guanidine IUPAC Name: 1-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-1-cyano-2-(pyridin-3-ylmethyl)guanidine Traditional Name: 1-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-1-cyano-2-(3-pyridylmethyl)guanidine Formula: C18H21BrN6 MolecularWeight: 401.30354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCN(C#N)C(=NCC2=CN=CC=C2)N)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCN(C#N)C(=NCC2=CN=CC=C2)N)Br

InChI

InChI=1S/C18H21BrN6/c1-14-9-16(19)12-23-17(14)6-2-3-8-25(13-20)18(21)24-11-15-5-4-7-22-10-15/h4-5,7,9-10,12H,2-3,6,8,11H2,1H3,(H2,21,24)