5-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-2-[4-[propyl(pyridin-2-yl)amino]butylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-2-[4-[propyl(pyridin-2-yl)amino]butylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-[4-[propyl(2-pyridyl)amino]butylamino]-1H-pyrimidin-6-one CAS Name: 5-[(1-oxido-4-pyridin-1-iumyl)methyl]-2-[4-[propyl(2-pyridinyl)amino]butylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-[4-[propyl(pyridin-2-yl)amino]butylamino]-1H-pyrimidin-6-one Traditional Name: 5-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-[4-[propyl(2-pyridyl)amino]butylamino]-1H-pyrimidin-6-one Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCNC1=NC=C(C(=O)N1)CC2=CC=[N+](C=C2)[O-])C3=CC=CC=N3

Isomeric SMILES

CCCN(CCCCNC1=NC=C(C(=O)N1)CC2=CC=[N+](C=C2)[O-])C3=CC=CC=N3

InChI

InChI=1S/C22H28N6O2/c1-2-12-27(20-7-3-4-10-23-20)13-6-5-11-24-22-25-17-19(21(29)26-22)16-18-8-14-28(30)15-9-18/h3-4,7-10,14-15,17H,2,5-6,11-13,16H2,1H3,(H2,24,25,26,29)