2-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-5-[(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-5-[(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-[(6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-1-oxido-3-pyridin-1-iumyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-[(6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one Formula: C21H24BrN5O2 MolecularWeight: 458.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)Br)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)Br)[O-]

InChI

InChI=1S/C21H24BrN5O2/c1-14-9-18(22)12-24-19(14)5-3-4-8-23-21-25-11-17(20(28)26-21)10-16-7-6-15(2)27(29)13-16/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H2,23,25,26,28)