2-tert-butyl-4-(3-oxidanylpropyl)-8-(phenylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one

Systemtic Name: 2-tert-butyl-4-(3-oxidanylpropyl)-8-(phenylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one Openeye Name: 8-benzyl-2-tert-butyl-4-(3-hydroxypropyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one CAS Name: 2-tert-butyl-4-(3-hydroxypropyl)-8-(phenylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one IUPAC Name: 8-benzyl-2-tert-butyl-4-(3-hydroxypropyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one Traditional Name: 8-benzyl-2-tert-butyl-4-(3-hydroxypropyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1)C3=NC(CN3C(=O)N2CCCO)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1)C3=NC(CN3C(=O)N2CCCO)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2/c1-21(2,3)19-23-16-17-22-15(12-14-8-5-4-6-9-14)13-26(17)20(28)25(10-7-11-27)18(16)24-19/h4-6,8-9,15,27H,7,10-13H2,1-3H3,(H,23,24)