3-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzoate

Systemtic Name: 3-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzoate Openeye Name: 3-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzoate CAS Name: 3-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]benzoate IUPAC Name: 3-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]benzoate Traditional Name: 3-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzoate Formula: C23H28N7O2- MolecularWeight: 434.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC(=C4)C(=O)[O-])NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC(=C4)C(=O)[O-])NC5CCC(CC5)N

InChI

InChI=1S/C23H29N7O2/c24-15-8-10-16(11-9-15)27-23-28-20(26-17-5-3-4-14(12-17)22(31)32)19-21(29-23)30(13-25-19)18-6-1-2-7-18/h3-5,12-13,15-16,18H,1-2,6-11,24H2,(H,31,32)(H2,26,27,28,29)/p-1