3-methoxy-2-[5-oxidanylidene-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl]propanoic acid

Systemtic Name: 3-methoxy-2-[5-oxidanylidene-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl]propanoic acid Openeye Name: 2-(8-benzyl-5-oxo-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl)-3-methoxy-propanoic acid CAS Name: 3-methoxy-2-[5-oxo-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl]propanoic acid IUPAC Name: 2-(8-benzyl-5-oxo-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl)-3-methoxypropanoic acid Traditional Name: 2-(8-benzyl-5-keto-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl)-3-methoxy-propionic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-3-9-25-19-16(23-17(24-19)15(12-30-2)20(27)28)18-22-14(11-26(18)21(25)29)10-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,23,24)(H,27,28)