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

Systemtic Name: methyl 2-[2-cyclopentyl-5-oxidanylidene-8-(phenylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl]ethanoate Openeye Name: methyl 2-(8-benzyl-2-cyclopentyl-5-oxo-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl)acetate CAS Name: 2-[2-cyclopentyl-5-oxo-8-(phenylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-(8-benzyl-2-cyclopentyl-5-oxo-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl)acetate Traditional Name: 2-(8-benzyl-2-cyclopentyl-5-keto-7,8-dihydro-1H-imidazo[2,1-f]purin-4-yl)acetic acid methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C3=NC(CN3C1=O)CC4=CC=CC=C4)NC(=N2)C5CCCC5

Isomeric SMILES

COC(=O)CN1C2=C(C3=NC(CN3C1=O)CC4=CC=CC=C4)NC(=N2)C5CCCC5

InChI

InChI=1S/C22H25N5O3/c1-30-17(28)13-27-21-18(24-19(25-21)15-9-5-6-10-15)20-23-16(12-26(20)22(27)29)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,24,25)