N-cyclopropyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-(3-esylphenyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C17H16F3N5O2S MolecularWeight: 411.40145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O2S/c1-2-28(26,27)12-5-3-4-11(8-12)25-9-21-13-14(22-10-6-7-10)23-16(17(18,19)20)24-15(13)25/h3-5,8-10H,2,6-7H2,1H3,(H,22,23,24)