2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]acetamide Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)C)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)C)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C24H25N5O5/c1-3-4-10-28-22-21(27(15-25-22)13-19-9-6-11-34-19)23(32)29(24(28)33)14-20(31)26-18-8-5-7-17(12-18)16(2)30/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H,26,31)