2-[4-[[(3S)-3-(diethylamino)pyrrolidin-1-ium-1-yl]methyl]phenyl]-5-fluoranyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[4-[[(3S)-3-(diethylamino)pyrrolidin-1-ium-1-yl]methyl]phenyl]-5-fluoranyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[4-[[(3S)-3-(diethylamino)pyrrolidin-1-ium-1-yl]methyl]phenyl]-5-fluoro-6-methyl-pyrimidin-4-olate CAS Name: 2-[4-[[(3S)-3-(diethylamino)-1-pyrrolidin-1-iumyl]methyl]phenyl]-5-fluoro-6-methyl-4-pyrimidinolate IUPAC Name: 2-[4-[[(3S)-3-(diethylamino)pyrrolidin-1-ium-1-yl]methyl]phenyl]-5-fluoro-6-methylpyrimidin-4-olate Traditional Name: 2-[4-[[(3S)-3-(diethylamino)pyrrolidin-1-ium-1-yl]methyl]phenyl]-5-fluoro-6-methyl-pyrimidin-4-olate Formula: C20H27FN4O MolecularWeight: 358.452983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=C(C(=N3)[O-])F)C

Isomeric SMILES

CCN(CC)[C@H]1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=C(C(=N3)[O-])F)C

InChI

InChI=1S/C20H27FN4O/c1-4-25(5-2)17-10-11-24(13-17)12-15-6-8-16(9-7-15)19-22-14(3)18(21)20(26)23-19/h6-9,17H,4-5,10-13H2,1-3H3,(H,22,23,26)/t17-/m0/s1