3-[[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoic acid

Systemtic Name: 3-[[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoic acid Openeye Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoic acid CAS Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoic acid Formula: C24H31N7O2 MolecularWeight: 449.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC(=C4)C(=O)O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC(=C4)C(=O)O)NC5CCC(CC5)N

InChI

InChI=1S/C24H31N7O2/c25-17-8-10-18(11-9-17)28-24-29-21(26-13-15-4-3-5-16(12-15)23(32)33)20-22(30-24)31(14-27-20)19-6-1-2-7-19/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H,32,33)(H2,26,28,29,30)