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

Systemtic Name: 4-[[4-[4-azanyl-2-oxidanylidene-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride Openeye Name: 4-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride CAS Name: 4-[[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)-5-pyrimidinyl]anilino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 4-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride Traditional Name: 4-[[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=C(C=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=C(C=C4)S(=O)(=O)F

InChI

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