4-[[2-[3-[4-azanyl-5-(3,4-dichlorophenyl)-2-oxidanylidene-pyrimidin-1-yl]propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[2-[3-[4-azanyl-5-(3,4-dichlorophenyl)-2-oxidanylidene-pyrimidin-1-yl]propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[[2-[3-[4-amino-5-(3,4-dichlorophenyl)-2-oxo-pyrimidin-1-yl]propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 4-[[2-[3-[4-amino-5-(3,4-dichlorophenyl)-2-oxo-1-pyrimidinyl]propoxy]anilino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 4-[[2-[3-[4-amino-5-(3,4-dichlorophenyl)-2-oxopyrimidin-1-yl]propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[[2-[3-[4-amino-5-(3,4-dichlorophenyl)-2-keto-pyrimidin-1-yl]propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C26H21Cl2FN4O5S MolecularWeight: 591.438143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F)OCCCN3C=C(C(=NC3=O)N)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F)OCCCN3C=C(C(=NC3=O)N)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H21Cl2FN4O5S/c27-20-11-8-17(14-21(20)28)19-15-33(26(35)32-24(19)30)12-3-13-38-23-5-2-1-4-22(23)31-25(34)16-6-9-18(10-7-16)39(29,36)37/h1-2,4-11,14-15H,3,12-13H2,(H,31,34)(H2,30,32,35)