5-[(4-butoxyphenyl)methyl]-6-oxidanylidene-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate

Systemtic Name: 5-[(4-butoxyphenyl)methyl]-6-oxidanylidene-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate Openeye Name: 5-[(4-butoxyphenyl)methyl]-6-oxo-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate CAS Name: 5-[(4-butoxyphenyl)methyl]-6-oxo-2-[3-(1-piperidin-1-iumyl)propylamino]-1H-pyrimidin-4-olate IUPAC Name: 5-[(4-butoxyphenyl)methyl]-6-oxo-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate Traditional Name: 5-(4-butoxybenzyl)-6-keto-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate Formula: C23H34N4O3 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NCCC[NH+]3CCCCC3)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NCCC[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C23H34N4O3/c1-2-3-16-30-19-10-8-18(9-11-19)17-20-21(28)25-23(26-22(20)29)24-12-7-15-27-13-5-4-6-14-27/h8-11H,2-7,12-17H2,1H3,(H3,24,25,26,28,29)