1-[4-(6-oxidanylidene-3H-purin-9-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(6-oxidanylidene-3H-purin-9-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(6-oxo-3H-purin-9-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(6-oxo-3H-purin-9-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(6-oxo-3H-purin-9-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(6-keto-3H-purin-9-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C19H13F3N6O2 MolecularWeight: 414.34073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)N3C=NC4=C3NC=NC4=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)N3C=NC4=C3NC=NC4=O)C(F)(F)F

InChI

InChI=1S/C19H13F3N6O2/c20-19(21,22)11-2-1-3-13(8-11)27-18(30)26-12-4-6-14(7-5-12)28-10-25-15-16(28)23-9-24-17(15)29/h1-10H,(H,23,24,29)(H2,26,27,30)