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2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-3,5-dihydropurin-6-one

2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-3,5-dihydropurin-6-one

Systemtic Name:2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-3,5-dihydropurin-6-one
Openeye Name:2-[4-chloro-3-(trifluoromethyl)anilino]-3,5-dihydropurin-6-one
CAS Name:2-[4-chloro-3-(trifluoromethyl)anilino]-3,5-dihydropurin-6-one
IUPAC Name:2-[4-chloro-3-(trifluoromethyl)anilino]-3,5-dihydropurin-6-one
Traditional Name:2-[4-chloro-3-(trifluoromethyl)anilino]-3,5-dihydropurin-6-one
Formula: C12H7ClF3N5O
MolecularWeight: 329.66509
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=O)C3C(=NC=N3)N2)C(F)(F)F)Cl


Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=O)C3C(=NC=N3)N2)C(F)(F)F)Cl


InChI

InChI=1S/C12H7ClF3N5O/c13-7-2-1-5(3-6(7)12(14,15)16)19-11-20-9-8(10(22)21-11)17-4-18-9/h1-4,8H,(H2,17,18,19,20,21,22)


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