1-butan-2-yl-3-[9-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]urea

Systemtic Name: 1-butan-2-yl-3-[9-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(sec-butylcarbamoylamino)purin-9-yl]phenyl]urea CAS Name: 1-butan-2-yl-3-[9-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-6-purinyl]urea IUPAC Name: 1-butan-2-yl-3-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(sec-butylcarbamoylamino)purin-9-yl]phenyl]urea Formula: C24H22ClF3N8O2 MolecularWeight: 546.93209

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CCC(C)NC(=O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C24H22ClF3N8O2/c1-3-13(2)32-22(37)35-20-19-21(30-11-29-20)36(12-31-19)16-7-4-14(5-8-16)33-23(38)34-15-6-9-18(25)17(10-15)24(26,27)28/h4-13H,3H2,1-2H3,(H2,33,34,38)(H2,29,30,32,35,37)