6-[2-[3-[[methyl(quinolin-8-ylmethyl)azaniumyl]methyl]phenoxy]ethylcarbamoyl]-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[2-[3-[[methyl(quinolin-8-ylmethyl)azaniumyl]methyl]phenoxy]ethylcarbamoyl]-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[2-[3-[[methyl(8-quinolylmethyl)ammonio]methyl]phenoxy]ethylcarbamoyl]-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[[2-[3-[[methyl(8-quinolinylmethyl)ammonio]methyl]phenoxy]ethylamino]-oxomethyl]-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[2-[3-[[methyl(quinolin-8-ylmethyl)azaniumyl]methyl]phenoxy]ethylcarbamoyl]-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[2-[3-[[methyl(8-quinolylmethyl)ammonio]methyl]phenoxy]ethylcarbamoyl]-1H-pyrimidin-2-olate Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OCCNC(=O)C2=CC(=O)N=C(N2)[O-])CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OCCNC(=O)C2=CC(=O)N=C(N2)[O-])CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H25N5O4/c1-30(16-19-7-3-6-18-8-4-10-26-23(18)19)15-17-5-2-9-20(13-17)34-12-11-27-24(32)21-14-22(31)29-25(33)28-21/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,32)(H2,28,29,31,33)