1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-[2-oxidanylidene-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

Systemtic Name: 1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-[2-oxidanylidene-5-(trifluoromethyl)-1H-pyridin-3-yl]urea Openeye Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea CAS Name: 1-[4-(6-amino-8-methyl-9-purinyl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea IUPAC Name: 1-[4-(6-amino-8-methylpurin-9-yl)phenyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea Traditional Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[2-keto-5-(trifluoromethyl)-1H-pyridin-3-yl]urea Formula: C19H15F3N8O2 MolecularWeight: 444.37001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=C(C=C3)NC(=O)NC4=CC(=CNC4=O)C(F)(F)F)N=CN=C2N

Isomeric SMILES

CC1=NC2=C(N1C3=CC=C(C=C3)NC(=O)NC4=CC(=CNC4=O)C(F)(F)F)N=CN=C2N

InChI

InChI=1S/C19H15F3N8O2/c1-9-27-14-15(23)25-8-26-16(14)30(9)12-4-2-11(3-5-12)28-18(32)29-13-6-10(19(20,21)22)7-24-17(13)31/h2-8H,1H3,(H,24,31)(H2,23,25,26)(H2,28,29,32)