1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-1-pyrimidin-2-yl-pyrrolo[2,3-b]pyridin-1-ium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-1-pyrimidin-2-yl-pyrrolo[2,3-b]pyridin-1-ium Openeye Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-1-pyrimidin-2-yl-pyrrolo[2,3-b]pyridin-1-ium CAS Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-1-(2-pyrimidinyl)pyrrolo[2,3-b]pyridin-1-ium IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-1-ium Traditional Name: 1-(4-fluorobenzyl)-5-mesyl-1-(2-pyrimidyl)pyrrolo[2,3-b]pyridin-1-ium Formula: C19H16FN4O2S+ MolecularWeight: 383.419343

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C2C(=C1)C=C[N+]2(CC3=CC=C(C=C3)F)C4=NC=CC=N4

Isomeric SMILES

CS(=O)(=O)C1=CN=C2C(=C1)C=C[N+]2(CC3=CC=C(C=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C19H16FN4O2S/c1-27(25,26)17-11-15-7-10-24(18(15)23-12-17,19-21-8-2-9-22-19)13-14-3-5-16(20)6-4-14/h2-12H,13H2,1H3/q+1