N-[3,5-bis(trifluoromethyl)phenyl]-2-chloranyl-7H-purin-6-amine

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloranyl-7H-purin-6-amine Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-7H-purin-6-amine CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-7H-purin-6-amine IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-7H-purin-6-amine Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-(2-chloro-7H-purin-6-yl)amine Formula: C13H6ClF6N5 MolecularWeight: 381.663659

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC2=NC(=NC3=C2NC=N3)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC2=NC(=NC3=C2NC=N3)Cl)C(F)(F)F

InChI

InChI=1S/C13H6ClF6N5/c14-11-24-9-8(21-4-22-9)10(25-11)23-7-2-5(12(15,16)17)1-6(3-7)13(18,19)20/h1-4H,(H2,21,22,23,24,25)