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1-(7H-purin-6-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(7H-purin-6-yl)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name:1-(7H-purin-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
Openeye Name:1-(7H-purin-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CAS Name:1-(7H-purin-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC Name:1-(7H-purin-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
Traditional Name:1-(7H-purin-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
Formula: C13H9F3N6O
MolecularWeight: 322.24537
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=NC=NC3=C2NC=N3)C(F)(F)F


Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=NC=NC3=C2NC=N3)C(F)(F)F


InChI

InChI=1S/C13H9F3N6O/c14-13(15,16)7-2-1-3-8(4-7)21-12(23)22-11-9-10(18-5-17-9)19-6-20-11/h1-6H,(H3,17,18,19,20,21,22,23)


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