2-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C18H20BrN5OS MolecularWeight: 434.3533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)Br

InChI

InChI=1S/C18H20BrN5OS/c19-16-15(22-12-23-16)11-26-9-8-20-18-21-10-14(17(25)24-18)7-6-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,22,23)(H2,20,21,24,25)