N-butyl-2-[4-[[(5-ethoxycarbonylpyrimidin-4-yl)amino]methyl]phenyl]benzonitrilium

Systemtic Name: N-butyl-2-[4-[[(5-ethoxycarbonylpyrimidin-4-yl)amino]methyl]phenyl]benzonitrilium Openeye Name: N-butyl-2-[4-[[(5-ethoxycarbonylpyrimidin-4-yl)amino]methyl]phenyl]benzonitrilium CAS Name: N-butyl-2-[4-[[(5-ethoxycarbonyl-4-pyrimidinyl)amino]methyl]phenyl]benzonitrilium IUPAC Name: N-butyl-2-[4-[[(5-ethoxycarbonylpyrimidin-4-yl)amino]methyl]phenyl]benzonitrilium Traditional Name: N-butyl-2-[4-[[(5-carbethoxypyrimidin-4-yl)amino]methyl]phenyl]benzonitrilium Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=NC=NC=C3C(=O)OCC

Isomeric SMILES

CCCC[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=NC=NC=C3C(=O)OCC

InChI

InChI=1S/C25H26N4O2/c1-3-5-14-26-16-21-8-6-7-9-22(21)20-12-10-19(11-13-20)15-28-24-23(17-27-18-29-24)25(30)31-4-2/h6-13,17-18H,3-5,14-15H2,1-2H3/p+1