5-oxidanylidene-1,8-bis(phenylmethyl)-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylic acid

Systemtic Name: 5-oxidanylidene-1,8-bis(phenylmethyl)-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylic acid Openeye Name: 1,8-dibenzyl-5-oxo-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylic acid CAS Name: 5-oxo-1,8-bis(phenylmethyl)-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylic acid IUPAC Name: 1,8-dibenzyl-5-oxo-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylic acid Traditional Name: 1,8-dibenzyl-5-keto-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C3=NC(CN3C1=O)CC4=CC=CC=C4)N(C(=N2)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C3=NC(CN3C1=O)CC4=CC=CC=C4)N(C(=N2)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c1-2-13-28-22-20(29(23(27-22)24(31)32)15-18-11-7-4-8-12-18)21-26-19(16-30(21)25(28)33)14-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3,(H,31,32)