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

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea hydrochloride Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride Traditional Name: 1-(4-adenin-9-ylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride Formula: C19H14Cl2F3N7O MolecularWeight: 484.26197

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClF3N7O.ClH/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);1H