4-[[2-[(4-azanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]piperidine-1-carboxylic acid Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]piperidine-1-carboxylic acid CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-propan-2-yl-6-purinyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]piperidine-1-carboxylic acid Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]piperidine-1-carboxylic acid Formula: C20H32N8O2 MolecularWeight: 416.52048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3CCN(CC3)C(=O)O)NC4CCC(CC4)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3CCN(CC3)C(=O)O)NC4CCC(CC4)N

InChI

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