4-[[4-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[4-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Openeye Name: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride CAS Name: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]-1-pyridin-1-iumyl]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Traditional Name: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Formula: C24H21Cl2FN5O2S+ MolecularWeight: 533.425243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)F

InChI

InChI=1S/C24H21Cl2FN5O2S/c25-19-7-4-17(13-20(19)26)22-21(30-24(29)31-23(22)28)8-3-15-9-11-32(12-10-15)14-16-1-5-18(6-2-16)35(27,33)34/h1-2,4-7,9-13H,3,8,14H2,(H4,28,29,30,31)/q+1