prop-2-enyl 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate Openeye Name: allyl 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylic acid allyl ester Formula: C25H38N8O2 MolecularWeight: 482.62162

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

C=CCOC(=O)N1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C25H38N8O2/c1-2-15-35-25(34)32-13-11-19(12-14-32)28-22-21-23(33(16-27-21)20-5-3-4-6-20)31-24(30-22)29-18-9-7-17(26)8-10-18/h2,16-20H,1,3-15,26H2,(H2,28,29,30,31)