1-[4-(6-aminopurin-9-yl)-2-fluoranyl-phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea hydrochloride

Systemtic Name: 1-[4-(6-aminopurin-9-yl)-2-fluoranyl-phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea hydrochloride Openeye Name: 1-[4-(6-aminopurin-9-yl)-2-fluoro-phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride CAS Name: 1-[4-(6-aminopurin-9-yl)-2-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride IUPAC Name: 1-[4-(6-aminopurin-9-yl)-2-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride Traditional Name: 1-(4-adenin-9-yl-2-fluoro-phenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride Formula: C19H13Cl2F4N7O MolecularWeight: 502.252433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClF4N7O.ClH/c20-12-3-1-9(5-11(12)19(22,23)24)29-18(32)30-14-4-2-10(6-13(14)21)31-8-28-15-16(25)26-7-27-17(15)31;/h1-8H,(H2,25,26,27)(H2,29,30,32);1H