2-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C16H17BrN6OS MolecularWeight: 421.31478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)Br

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)Br

InChI

InChI=1S/C16H17BrN6OS/c17-14-13(21-10-22-14)9-25-5-4-19-16-20-8-12(15(24)23-16)6-11-2-1-3-18-7-11/h1-3,7-8,10H,4-6,9H2,(H,21,22)(H2,19,20,23,24)