tert-butyl 4-[5-oxidanylidene-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-oxidanylidene-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(8-benzyl-5-oxo-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl)piperidine-1-carboxylate CAS Name: 4-[5-oxo-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-benzyl-5-oxo-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl)piperidine-1-carboxylate Traditional Name: 4-(8-benzyl-5-keto-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C3=NC(CN3C1=O)CC4=CC=CC=C4)NC(=N2)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=C(C3=NC(CN3C1=O)CC4=CC=CC=C4)NC(=N2)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H36N6O3/c1-5-13-32-24-21(23-28-20(17-33(23)25(32)34)16-18-9-7-6-8-10-18)29-22(30-24)19-11-14-31(15-12-19)26(35)36-27(2,3)4/h6-10,19-20H,5,11-17H2,1-4H3,(H,29,30)