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

Systemtic Name: methyl 5-oxidanylidene-1,8-bis(phenylmethyl)-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylate Openeye Name: methyl 1,8-dibenzyl-5-oxo-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylate CAS Name: 5-oxo-1,8-bis(phenylmethyl)-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylic acid methyl ester IUPAC Name: methyl 1,8-dibenzyl-5-oxo-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylate Traditional Name: 1,8-dibenzyl-5-keto-4-propyl-7,8-dihydroimidazo[2,1-f]purine-2-carboxylic acid methyl ester Formula: C26H27N5O3 MolecularWeight: 457.52428

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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)OC)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3/c1-3-14-29-23-21(30(24(28-23)25(32)34-2)16-19-12-8-5-9-13-19)22-27-20(17-31(22)26(29)33)15-18-10-6-4-7-11-18/h4-13,20H,3,14-17H2,1-2H3