2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-[(1R)-1-(2-naphthyl)ethyl]acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-[(1R)-1-(2-naphthalenyl)ethyl]acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-[(1R)-1-(2-naphthyl)ethyl]acetamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC(C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)N[C@H](C)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H33N5O3/c1-4-6-14-30-18-28-25-24(30)26(34)32(27(35)31(25)15-7-5-2)17-23(33)29-19(3)21-13-12-20-10-8-9-11-22(20)16-21/h8-13,16,18-19H,4-7,14-15,17H2,1-3H3,(H,29,33)/t19-/m1/s1