1-[4-(6-azanyl-8-ethenyl-purin-9-yl)phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(6-azanyl-8-ethenyl-purin-9-yl)phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(6-amino-8-vinyl-purin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(6-amino-8-ethenyl-9-purinyl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(6-amino-8-ethenylpurin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(6-amino-8-vinyl-purin-9-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea Formula: C21H15ClF3N7O MolecularWeight: 473.83831

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=NC2=C(N1C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)N=CN=C2N

Isomeric SMILES

C=CC1=NC2=C(N1C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)N=CN=C2N

InChI

InChI=1S/C21H15ClF3N7O/c1-2-16-31-17-18(26)27-10-28-19(17)32(16)13-6-3-11(4-7-13)29-20(33)30-12-5-8-15(22)14(9-12)21(23,24)25/h2-10H,1H2,(H2,26,27,28)(H2,29,30,33)