[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]carbonylcarbamic acid

Systemtic Name: [4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]carbonylcarbamic acid Openeye Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carbonyl]carbamic acid CAS Name: [[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-oxomethyl]carbamic acid IUPAC Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidine-1-carbonyl]carbamic acid Traditional Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carbonyl]carbamic acid Formula: C23H35N9O3 MolecularWeight: 485.5825

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)NC(=O)O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)NC(=O)O)NC5CCC(CC5)N

InChI

InChI=1S/C23H35N9O3/c24-14-5-7-15(8-6-14)27-21-28-19(18-20(29-21)32(13-25-18)17-3-1-2-4-17)26-16-9-11-31(12-10-16)22(33)30-23(34)35/h13-17H,1-12,24H2,(H,30,33)(H,34,35)(H2,26,27,28,29)