2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(1-naphthalen-2-ylethyl)ethanamide

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(1-naphthalen-2-ylethyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-[1-(2-naphthyl)ethyl]acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-[1-(2-naphthalenyl)ethyl]acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-[1-(2-naphthyl)ethyl]acetamide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC(C)C3=CC4=CC=CC=C4C=C3)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC(C)C3=CC4=CC=CC=C4C=C3)N(C(=N2)CO)CCC

InChI

InChI=1S/C27H33N5O4/c1-4-6-14-31-25-24(30(13-5-2)22(17-33)29-25)26(35)32(27(31)36)16-23(34)28-18(3)20-12-11-19-9-7-8-10-21(19)15-20/h7-12,15,18,33H,4-6,13-14,16-17H2,1-3H3,(H,28,34)