N-cyclopropyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-(2-methylsulfonyl-4-pyrimidinyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-(2-mesylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C14H12F3N7O2S MolecularWeight: 399.35099

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=CC(=N1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=NC=CC(=N1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

InChI

InChI=1S/C14H12F3N7O2S/c1-27(25,26)13-18-5-4-8(21-13)24-6-19-9-10(20-7-2-3-7)22-12(14(15,16)17)23-11(9)24/h4-7H,2-3H2,1H3,(H,20,22,23)