2-chloranyl-9-(thiolan-3-yl)-N-[4-(trifluoromethyloxy)phenyl]purin-6-amine

Systemtic Name: 2-chloranyl-9-(thiolan-3-yl)-N-[4-(trifluoromethyloxy)phenyl]purin-6-amine Openeye Name: 2-chloro-9-tetrahydrothiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]purin-6-amine CAS Name: 2-chloro-9-(3-thiolanyl)-N-[4-(trifluoromethoxy)phenyl]-6-purinamine IUPAC Name: 2-chloro-9-(thiolan-3-yl)-N-[4-(trifluoromethoxy)phenyl]purin-6-amine Traditional Name: (2-chloro-9-tetrahydrothiophen-3-yl-purin-6-yl)-[4-(trifluoromethoxy)phenyl]amine Formula: C16H13ClF3N5OS MolecularWeight: 415.82053

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)OC(F)(F)F)Cl

Isomeric SMILES

C1CSCC1N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)OC(F)(F)F)Cl

InChI

InChI=1S/C16H13ClF3N5OS/c17-15-23-13(22-9-1-3-11(4-2-9)26-16(18,19)20)12-14(24-15)25(8-21-12)10-5-6-27-7-10/h1-4,8,10H,5-7H2,(H,22,23,24)