2-tert-butyl-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one hydrochloride

Systemtic Name: 2-tert-butyl-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one hydrochloride Openeye Name: 8-benzyl-2-tert-butyl-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one hydrochloride CAS Name: 2-tert-butyl-8-(phenylmethyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one hydrochloride IUPAC Name: 8-benzyl-2-tert-butyl-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one hydrochloride Traditional Name: 8-benzyl-2-tert-butyl-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one hydrochloride Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O.ClH/c1-5-11-25-18-16(23-19(24-18)21(2,3)4)17-22-15(13-26(17)20(25)27)12-14-9-7-6-8-10-14;/h6-10,15H,5,11-13H2,1-4H3,(H,23,24);1H