N2-(4-azanylcyclohexyl)-9-ethyl-N6-(4-piperidin-1-ylsulfonylphenyl)purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-ethyl-N6-(4-piperidin-1-ylsulfonylphenyl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-ethyl-N6-[4-(1-piperidylsulfonyl)phenyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-ethyl-N6-[4-(1-piperidinylsulfonyl)phenyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-ethyl-6-N-(4-piperidin-1-ylsulfonylphenyl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-ethyl-6-(4-piperidinosulfonylanilino)purin-2-yl]amine Formula: C24H34N8O2S MolecularWeight: 498.64416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C24H34N8O2S/c1-2-31-16-26-21-22(29-24(30-23(21)31)28-19-8-6-17(25)7-9-19)27-18-10-12-20(13-11-18)35(33,34)32-14-4-3-5-15-32/h10-13,16-17,19H,2-9,14-15,25H2,1H3,(H2,27,28,29,30)