3-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]phenyl]methylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzyl]carbamoyl]benzenesulfonyl fluoride Formula: C25H20Cl2FN5O4S MolecularWeight: 576.426803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H20Cl2FN5O4S/c26-19-9-6-15(11-20(19)27)22-21(32-25(30)33-23(22)29)13-37-17-7-4-14(5-8-17)12-31-24(34)16-2-1-3-18(10-16)38(28,35)36/h1-11H,12-13H2,(H,31,34)(H4,29,30,32,33)