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

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-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-[2-(4-fluorophenyl)ethyl]acetamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-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-[2-(4-fluorophenyl)ethyl]acetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide Formula: C27H30FN5O3 MolecularWeight: 491.557203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H30FN5O3/c1-19(2)13-15-31-18-30-25-24(31)26(35)33(27(36)32(25)16-21-6-4-3-5-7-21)17-23(34)29-14-12-20-8-10-22(28)11-9-20/h3-11,18-19H,12-17H2,1-2H3,(H,29,34)