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

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-(trifluoromethyl)pyridin-2-yl]urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-(trifluoromethyl)-2-pyridyl]urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-(trifluoromethyl)pyridin-2-yl]urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-[4-(trifluoromethyl)-2-pyridyl]urea Formula: C18H13F3N8O MolecularWeight: 414.34403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N8O/c19-18(20,21)10-5-6-23-13(7-10)28-17(30)27-11-1-3-12(4-2-11)29-9-26-14-15(22)24-8-25-16(14)29/h1-9H,(H2,22,24,25)(H2,23,27,28,30)