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2-[[3-(trifluoromethyl)phenyl]amino]-3,7-dihydropurin-6-one

2-[[3-(trifluoromethyl)phenyl]amino]-3,7-dihydropurin-6-one

Systemtic Name:2-[[3-(trifluoromethyl)phenyl]amino]-3,7-dihydropurin-6-one
Openeye Name:2-[3-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one
CAS Name:2-[3-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one
IUPAC Name:2-[3-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one
Traditional Name:2-[3-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one
Formula: C12H8F3N5O
MolecularWeight: 295.22003
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3)C(F)(F)F


Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3)C(F)(F)F


InChI

InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)


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