8-(phenylmethyl)-4-propyl-2-thiophen-3-yl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one

Systemtic Name: 8-(phenylmethyl)-4-propyl-2-thiophen-3-yl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one Openeye Name: 8-benzyl-4-propyl-2-(3-thienyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one CAS Name: 8-(phenylmethyl)-4-propyl-2-(3-thiophenyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one IUPAC Name: 8-benzyl-4-propyl-2-thiophen-3-yl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one Traditional Name: 8-benzyl-4-propyl-2-(3-thienyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-2-9-25-20-17(23-18(24-20)15-8-10-28-13-15)19-22-16(12-26(19)21(25)27)11-14-6-4-3-5-7-14/h3-8,10,13,16H,2,9,11-12H2,1H3,(H,23,24)