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

Systemtic Name: 2-[4-(3-azanyl-5-bromanyl-pyridin-2-yl)butylamino]-5-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[4-(3-amino-5-bromo-2-pyridyl)butylamino]-5-[(1-oxidopyridin-1-ium-4-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[4-(3-amino-5-bromo-2-pyridinyl)butylamino]-5-[(1-oxido-4-pyridin-1-iumyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[4-(3-amino-5-bromopyridin-2-yl)butylamino]-5-[(1-oxidopyridin-1-ium-4-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-(3-amino-5-bromo-2-pyridyl)butylamino]-5-[(1-oxidopyridin-1-ium-4-yl)methyl]-1H-pyrimidin-6-one Formula: C19H21BrN6O2 MolecularWeight: 445.31304

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3N)Br)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3N)Br)[O-]

InChI

InChI=1S/C19H21BrN6O2/c20-15-10-16(21)17(23-12-15)3-1-2-6-22-19-24-11-14(18(27)25-19)9-13-4-7-26(28)8-5-13/h4-5,7-8,10-12H,1-3,6,9,21H2,(H2,22,24,25,27)