[4-[[6-(piperidin-4-ylamino)-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]carbamic acid

Systemtic Name: [4-[[6-(piperidin-4-ylamino)-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]carbamic acid Openeye Name: [4-[[9-isopropyl-6-(4-piperidylamino)purin-2-yl]amino]cyclohexyl]carbamic acid CAS Name: [4-[[6-(4-piperidinylamino)-9-propan-2-yl-2-purinyl]amino]cyclohexyl]carbamic acid IUPAC Name: [4-[[6-(piperidin-4-ylamino)-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]carbamic acid Traditional Name: [4-[[9-isopropyl-6-(4-piperidylamino)purin-2-yl]amino]cyclohexyl]carbamic acid Formula: C20H32N8O2 MolecularWeight: 416.52048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3CCNCC3)NC4CCC(CC4)NC(=O)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3CCNCC3)NC4CCC(CC4)NC(=O)O

InChI

InChI=1S/C20H32N8O2/c1-12(2)28-11-22-16-17(23-15-7-9-21-10-8-15)26-19(27-18(16)28)24-13-3-5-14(6-4-13)25-20(29)30/h11-15,21,25H,3-10H2,1-2H3,(H,29,30)(H2,23,24,26,27)