N-(3-fluoranyl-4-methyl-phenyl)-2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C26H28FN5O3 MolecularWeight: 477.530623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3CCC(C)C)N(C2=O)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3CCC(C)C)N(C2=O)CC4=CC=CC=C4)F

InChI

InChI=1S/C26H28FN5O3/c1-17(2)11-12-30-16-28-24-23(30)25(34)32(26(35)31(24)14-19-7-5-4-6-8-19)15-22(33)29-20-10-9-18(3)21(27)13-20/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H,29,33)