2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-(2-isopropylphenyl)acetamide CAS Name: 2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-o-cumenyl-acetamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4C(C)C

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4C(C)C

InChI

InChI=1S/C27H31N5O3/c1-18(2)14-30-17-28-25-24(30)26(34)32(27(35)31(25)15-20-10-6-5-7-11-20)16-23(33)29-22-13-9-8-12-21(22)19(3)4/h5-13,17-19H,14-16H2,1-4H3,(H,29,33)