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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-hydroxyethylcarbamoylamino)purin-9-yl]phenyl]urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-hydroxyethylcarbamoylamino)purin-9-yl]phenyl]urea CAS Name: 1-[9-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-6-purinyl]-3-(2-hydroxyethyl)urea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-hydroxyethylcarbamoylamino)purin-9-yl]phenyl]urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-hydroxyethylcarbamoylamino)purin-9-yl]phenyl]urea Formula: C22H18ClF3N8O3 MolecularWeight: 534.87833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=NC4=C3N=CN=C4NC(=O)NCCO

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=NC4=C3N=CN=C4NC(=O)NCCO

InChI

InChI=1S/C22H18ClF3N8O3/c23-16-6-3-13(9-15(16)22(24,25)26)32-21(37)31-12-1-4-14(5-2-12)34-11-30-17-18(28-10-29-19(17)34)33-20(36)27-7-8-35/h1-6,9-11,35H,7-8H2,(H2,31,32,37)(H2,27,28,29,33,36)