2-[3-[(5-chloranyl-3-methyl-pyridin-2-yl)amino]propylamino]-5-[(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[(5-chloranyl-3-methyl-pyridin-2-yl)amino]propylamino]-5-[(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[(5-chloro-3-methyl-2-pyridyl)amino]propylamino]-5-[(6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[(5-chloro-3-methyl-2-pyridinyl)amino]propylamino]-5-[(6-methyl-1-oxido-3-pyridin-1-iumyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[(5-chloro-3-methylpyridin-2-yl)amino]propylamino]-5-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[(5-chloro-3-methyl-2-pyridyl)amino]propylamino]-5-[(6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCNC3=NC=C(C=C3C)Cl)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCNC3=NC=C(C=C3C)Cl)[O-]

InChI

InChI=1S/C20H23ClN6O2/c1-13-8-17(21)11-24-18(13)22-6-3-7-23-20-25-10-16(19(28)26-20)9-15-5-4-14(2)27(29)12-15/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,22,24)(H2,23,25,26,28)