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

Systemtic Name: 5-[(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-1-oxido-3-pyridin-1-iumyl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H24N4O2/c1-16-10-11-18(15-25(16)27)13-19-14-23-21(24-20(19)26)22-12-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,14-15H,5-6,9,12-13H2,1H3,(H2,22,23,24,26)