N2-(4-azanylcyclohexyl)-9-(3-fluorophenyl)-N6-(4-methylsulfonylphenyl)purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-(3-fluorophenyl)-N6-(4-methylsulfonylphenyl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-(3-fluorophenyl)-N6-(4-methylsulfonylphenyl)purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-(3-fluorophenyl)-N6-(4-methylsulfonylphenyl)purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-(3-fluorophenyl)-6-N-(4-methylsulfonylphenyl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-(3-fluorophenyl)-6-(4-mesylanilino)purin-2-yl]amine Formula: C24H26FN7O2S MolecularWeight: 495.572343

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4=CC(=CC=C4)F)NC5CCC(CC5)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4=CC(=CC=C4)F)NC5CCC(CC5)N

InChI

InChI=1S/C24H26FN7O2S/c1-35(33,34)20-11-9-17(10-12-20)28-22-21-23(32(14-27-21)19-4-2-3-15(25)13-19)31-24(30-22)29-18-7-5-16(26)6-8-18/h2-4,9-14,16,18H,5-8,26H2,1H3,(H2,28,29,30,31)