3-[[4-[4-azanyl-2-oxidanylidene-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride

Systemtic Name: 3-[[4-[4-azanyl-2-oxidanylidene-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride Openeye Name: 3-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride CAS Name: 3-[[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)-5-pyrimidinyl]anilino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 3-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride Traditional Name: 3-[[4-[4-amino-2-keto-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride Formula: C26H24FN5O5S MolecularWeight: 537.562663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN2C=C(C(=NC2=O)N)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F

Isomeric SMILES

C1=CC=C(C=C1)OCCCN2C=C(C(=NC2=O)N)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F

InChI

InChI=1S/C26H24FN5O5S/c27-38(35,36)22-9-4-6-20(16-22)30-25(33)29-19-12-10-18(11-13-19)23-17-32(26(34)31-24(23)28)14-5-15-37-21-7-2-1-3-8-21/h1-4,6-13,16-17H,5,14-15H2,(H2,28,31,34)(H2,29,30,33)