1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(4-purin-9-ylphenyl)urea

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(4-purin-9-ylphenyl)urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-purin-9-ylphenyl)urea CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(9-purinyl)phenyl]urea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-purin-9-ylphenyl)urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-purin-9-ylphenyl)urea Formula: C19H12ClF3N6O MolecularWeight: 432.78639

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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=CN=CN=C43

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C19H12ClF3N6O/c20-15-6-3-12(7-14(15)19(21,22)23)28-18(30)27-11-1-4-13(5-2-11)29-10-26-16-8-24-9-25-17(16)29/h1-10H,(H2,27,28,30)