[4-[[9-cyclopent-2-en-1-yl-6-(piperidin-4-ylamino)purin-2-yl]amino]cyclohexyl]carbamic acid

Systemtic Name: [4-[[9-cyclopent-2-en-1-yl-6-(piperidin-4-ylamino)purin-2-yl]amino]cyclohexyl]carbamic acid Openeye Name: [4-[[9-cyclopent-2-en-1-yl-6-(4-piperidylamino)purin-2-yl]amino]cyclohexyl]carbamic acid CAS Name: [4-[[9-(1-cyclopent-2-enyl)-6-(4-piperidinylamino)-2-purinyl]amino]cyclohexyl]carbamic acid IUPAC Name: [4-[[9-cyclopent-2-en-1-yl-6-(piperidin-4-ylamino)purin-2-yl]amino]cyclohexyl]carbamic acid Traditional Name: [4-[[9-cyclopent-2-en-1-yl-6-(4-piperidylamino)purin-2-yl]amino]cyclohexyl]carbamic acid Formula: C22H32N8O2 MolecularWeight: 440.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NC4CCNCC4)NC5CCC(CC5)NC(=O)O

Isomeric SMILES

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NC4CCNCC4)NC5CCC(CC5)NC(=O)O

InChI

InChI=1S/C22H32N8O2/c31-22(32)27-15-7-5-14(6-8-15)26-21-28-19(25-16-9-11-23-12-10-16)18-20(29-21)30(13-24-18)17-3-1-2-4-17/h1,3,13-17,23,27H,2,4-12H2,(H,31,32)(H2,25,26,28,29)