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

Systemtic Name: 5-[(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-2-(5-oxidanylpentylamino)-1H-pyrimidin-6-one Openeye Name: 2-(5-hydroxypentylamino)-5-[(6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-(5-hydroxypentylamino)-5-[(6-methyl-1-oxido-3-pyridin-1-iumyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-(5-hydroxypentylamino)-5-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-(5-hydroxypentylamino)-5-[(6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCCCO)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCCCO)[O-]

InChI

InChI=1S/C16H22N4O3/c1-12-5-6-13(11-20(12)23)9-14-10-18-16(19-15(14)22)17-7-3-2-4-8-21/h5-6,10-11,21H,2-4,7-9H2,1H3,(H2,17,18,19,22)