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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(C)C1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CC(C)NC(=O)N(C)C1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

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