6-ethyl-9-(3-methoxypyridin-4-yl)-2-(trifluoromethyl)purine

Systemtic Name: 6-ethyl-9-(3-methoxypyridin-4-yl)-2-(trifluoromethyl)purine Openeye Name: 6-ethyl-9-(3-methoxy-4-pyridyl)-2-(trifluoromethyl)purine CAS Name: 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine IUPAC Name: 6-ethyl-9-(3-methoxypyridin-4-yl)-2-(trifluoromethyl)purine Traditional Name: 6-ethyl-9-(3-methoxy-4-pyridyl)-2-(trifluoromethyl)purine Formula: C14H12F3N5O MolecularWeight: 323.27319

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=C(C=NC=C3)OC

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=C(C=NC=C3)OC

InChI

InChI=1S/C14H12F3N5O/c1-3-8-11-12(21-13(20-8)14(15,16)17)22(7-19-11)9-4-5-18-6-10(9)23-2/h4-7H,3H2,1-2H3