3-tert-butyl-1-[1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-hexyl-urea

Systemtic Name: 3-tert-butyl-1-[1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-hexyl-urea Openeye Name: 3-tert-butyl-1-[1-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]propyl]-1-hexyl-urea CAS Name: 3-tert-butyl-1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]propyl]-1-hexylurea IUPAC Name: 3-tert-butyl-1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-hexylurea Traditional Name: 3-tert-butyl-1-[1-[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]propyl]-1-hexyl-urea Formula: C28H36ClFN4O2 MolecularWeight: 515.062443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C28H36ClFN4O2/c1-6-8-9-12-17-33(27(36)32-28(3,4)5)24(7-2)25-31-23-14-11-10-13-20(23)26(35)34(25)19-15-16-22(30)21(29)18-19/h10-11,13-16,18,24H,6-9,12,17H2,1-5H3,(H,32,36)