3-[(2-cyclopentyl-5-oxidanylidene-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-8-yl)methyl]benzoic acid

Systemtic Name: 3-[(2-cyclopentyl-5-oxidanylidene-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-8-yl)methyl]benzoic acid Openeye Name: 3-[(2-cyclopentyl-5-oxo-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-8-yl)methyl]benzoic acid CAS Name: 3-[(2-cyclopentyl-5-oxo-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-8-yl)methyl]benzoic acid IUPAC Name: 3-[(2-cyclopentyl-5-oxo-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-8-yl)methyl]benzoic acid Traditional Name: 3-[(2-cyclopentyl-5-keto-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-8-yl)methyl]benzoic acid Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C3=NC(CN3C1=O)CC4=CC=CC(=C4)C(=O)O)NC(=N2)C5CCCC5

Isomeric SMILES

CCCN1C2=C(C3=NC(CN3C1=O)CC4=CC=CC(=C4)C(=O)O)NC(=N2)C5CCCC5

InChI

InChI=1S/C23H27N5O3/c1-2-10-27-21-18(25-19(26-21)15-7-3-4-8-15)20-24-17(13-28(20)23(27)31)12-14-6-5-9-16(11-14)22(29)30/h5-6,9,11,15,17H,2-4,7-8,10,12-13H2,1H3,(H,25,26)(H,29,30)