N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-3-(trifluoromethyl)benzenesulfonohydrazide

Systemtic Name: N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-3-(trifluoromethyl)benzenesulfonohydrazide Openeye Name: N'-(2-chloro-9-cyclopentyl-purin-6-yl)-3-(trifluoromethyl)benzenesulfonohydrazide CAS Name: N'-(2-chloro-9-cyclopentyl-6-purinyl)-3-(trifluoromethyl)benzenesulfonohydrazide IUPAC Name: N'-(2-chloro-9-cyclopentylpurin-6-yl)-3-(trifluoromethyl)benzenesulfonohydrazide Traditional Name: N'-(2-chloro-9-cyclopentyl-purin-6-yl)-3-(trifluoromethyl)benzenesulfonohydrazide Formula: C17H16ClF3N6O2S MolecularWeight: 460.86115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NNS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NNS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3N6O2S/c18-16-23-14(13-15(24-16)27(9-22-13)11-5-1-2-6-11)25-26-30(28,29)12-7-3-4-10(8-12)17(19,20)21/h3-4,7-9,11,26H,1-2,5-6H2,(H,23,24,25)