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

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopent-2-en-1-yl-purin-6-yl]amino]piperidine-1-carboxylic acid Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopent-2-en-1-yl-purin-6-yl]amino]piperidine-1-carboxylic acid CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-(1-cyclopent-2-enyl)-6-purinyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopent-2-en-1-ylpurin-6-yl]amino]piperidine-1-carboxylic acid Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopent-2-en-1-yl-purin-6-yl]amino]piperidine-1-carboxylic acid Formula: C22H32N8O2 MolecularWeight: 440.54188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)O)NC5CCC(CC5)N

Isomeric SMILES

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)O)NC5CCC(CC5)N

InChI

InChI=1S/C22H32N8O2/c23-14-5-7-15(8-6-14)26-21-27-19(25-16-9-11-29(12-10-16)22(31)32)18-20(28-21)30(13-24-18)17-3-1-2-4-17/h1,3,13-17H,2,4-12,23H2,(H,31,32)(H2,25,26,27,28)