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

Systemtic Name: 4-[[4-[4-azanyl-2-oxidanylidene-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 4-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)-5-pyrimidinyl]anilino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 4-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[[4-[4-amino-2-keto-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C26H23FN4O5S MolecularWeight: 522.548023

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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)C4=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)C4=CC=C(C=C4)S(=O)(=O)F

InChI

InChI=1S/C26H23FN4O5S/c27-37(34,35)22-13-9-19(10-14-22)25(32)29-20-11-7-18(8-12-20)23-17-31(26(33)30-24(23)28)15-4-16-36-21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2,(H,29,32)(H2,28,30,33)