2-[2-cyclopentyl-5-oxidanylidene-8-(phenylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl]ethanoic acid

Systemtic Name: 2-[2-cyclopentyl-5-oxidanylidene-8-(phenylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl]ethanoic acid Openeye Name: 2-(8-benzyl-2-cyclopentyl-5-oxo-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl)acetic acid CAS Name: 2-[2-cyclopentyl-5-oxo-8-(phenylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl]acetic acid IUPAC Name: 2-(8-benzyl-2-cyclopentyl-5-oxo-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl)acetic acid Traditional Name: 2-(8-benzyl-2-cyclopentyl-5-keto-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl)acetic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N2)C4=NC(CN4C(=O)N3CC(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N2)C4=NC(CN4C(=O)N3CC(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C21H23N5O3/c27-16(28)12-26-20-17(23-18(24-20)14-8-4-5-9-14)19-22-15(11-25(19)21(26)29)10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,23,24)(H,27,28)