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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-(6-morpholin-4-ylpurin-9-yl)phenyl]urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(6-morpholinopurin-9-yl)phenyl]urea CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-morpholinyl)-9-purinyl]phenyl]urea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(6-morpholin-4-ylpurin-9-yl)phenyl]urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(6-morpholinopurin-9-yl)phenyl]urea Formula: C23H19ClF3N7O2 MolecularWeight: 517.89087

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=NC3=C2N=CN3C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=NC=NC3=C2N=CN3C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F

InChI

InChI=1S/C23H19ClF3N7O2/c24-18-6-3-15(11-17(18)23(25,26)27)32-22(35)31-14-1-4-16(5-2-14)34-13-30-19-20(28-12-29-21(19)34)33-7-9-36-10-8-33/h1-6,11-13H,7-10H2,(H2,31,32,35)