N8-(3-chloranylpyridin-2-yl)-N6-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine

Systemtic Name: N8-(3-chloranylpyridin-2-yl)-N6-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine Openeye Name: N8-(3-chloro-2-pyridyl)-N6-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine CAS Name: N8-(3-chloro-2-pyridinyl)-N6-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine IUPAC Name: 8-N-(3-chloropyridin-2-yl)-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine Traditional Name: (3-chloro-2-pyridyl)-[6-[4-(trifluoromethyl)anilino]-7H-purin-8-yl]amine Formula: C17H11ClF3N7 MolecularWeight: 405.76435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NC2=NC3=C(N2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(N=C1)NC2=NC3=C(N2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3N7/c18-11-2-1-7-22-13(11)27-16-26-12-14(23-8-24-15(12)28-16)25-10-5-3-9(4-6-10)17(19,20)21/h1-8H,(H3,22,23,24,25,26,27,28)