4-[[9-ethyl-6-[(4-piperidin-1-ylsulfonylphenyl)amino]purin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[9-ethyl-6-[(4-piperidin-1-ylsulfonylphenyl)amino]purin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[9-ethyl-6-[4-(1-piperidylsulfonyl)anilino]purin-2-yl]amino]cyclohexanol CAS Name: 4-[[9-ethyl-6-[4-(1-piperidinylsulfonyl)anilino]-2-purinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[9-ethyl-6-(4-piperidin-1-ylsulfonylanilino)purin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[9-ethyl-6-(4-piperidinosulfonylanilino)purin-2-yl]amino]cyclohexanol Formula: C24H33N7O3S MolecularWeight: 499.62892

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H33N7O3S/c1-2-30-16-25-21-22(28-24(29-23(21)30)27-18-6-10-19(32)11-7-18)26-17-8-12-20(13-9-17)35(33,34)31-14-4-3-5-15-31/h8-9,12-13,16,18-19,32H,2-7,10-11,14-15H2,1H3,(H2,26,27,28,29)