1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea Formula: C19H13ClF3N7O MolecularWeight: 447.80103

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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=C4N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C19H13ClF3N7O/c20-14-6-3-11(7-13(14)19(21,22)23)29-18(31)28-10-1-4-12(5-2-10)30-9-27-15-16(24)25-8-26-17(15)30/h1-9H,(H2,24,25,26)(H2,28,29,31)