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

Systemtic Name: 2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-(3-phenylpropyl)acetamide CAS Name: 2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-(3-phenylpropyl)acetamide Formula: C28H33N5O3 MolecularWeight: 487.59332

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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)NCCCC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C28H33N5O3/c1-21(2)15-17-31-20-30-26-25(31)27(35)33(28(36)32(26)18-23-12-7-4-8-13-23)19-24(34)29-16-9-14-22-10-5-3-6-11-22/h3-8,10-13,20-21H,9,14-19H2,1-2H3,(H,29,34)