(1S,2R)-2-[[9-ethyl-6-[(4-piperidin-1-ylsulfonylphenyl)amino]purin-2-yl]amino]cyclohexane-1-carboxamide

Systemtic Name: (1S,2R)-2-[[9-ethyl-6-[(4-piperidin-1-ylsulfonylphenyl)amino]purin-2-yl]amino]cyclohexane-1-carboxamide Openeye Name: (1S,2R)-2-[[9-ethyl-6-[4-(1-piperidylsulfonyl)anilino]purin-2-yl]amino]cyclohexanecarboxamide CAS Name: (1S,2R)-2-[[9-ethyl-6-[4-(1-piperidinylsulfonyl)anilino]-2-purinyl]amino]-1-cyclohexanecarboxamide IUPAC Name: (1S,2R)-2-[[9-ethyl-6-(4-piperidin-1-ylsulfonylanilino)purin-2-yl]amino]cyclohexane-1-carboxamide Traditional Name: (1S,2R)-2-[[9-ethyl-6-(4-piperidinosulfonylanilino)purin-2-yl]amino]cyclohexanecarboxamide Formula: C25H34N8O3S MolecularWeight: 526.65426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5CCCCC5C(=O)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N[C@@H]5CCCC[C@@H]5C(=O)N

InChI

InChI=1S/C25H34N8O3S/c1-2-32-16-27-21-23(30-25(31-24(21)32)29-20-9-5-4-8-19(20)22(26)34)28-17-10-12-18(13-11-17)37(35,36)33-14-6-3-7-15-33/h10-13,16,19-20H,2-9,14-15H2,1H3,(H2,26,34)(H2,28,29,30,31)/t19-,20+/m0/s1