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

Systemtic Name: N-cyclopropyl-9-(3-methylsulfonylphenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-(3-methylsulfonylphenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-(3-methylsulfonylphenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-(3-methylsulfonylphenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-(3-mesylphenyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C16H14F3N5O2S MolecularWeight: 397.37487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N5O2S/c1-27(25,26)11-4-2-3-10(7-11)24-8-20-12-13(21-9-5-6-9)22-15(16(17,18)19)23-14(12)24/h2-4,7-9H,5-6H2,1H3,(H,21,22,23)