ethyl 3-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]benzoate Openeye Name: ethyl 3-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]benzoate CAS Name: 3-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]benzoate Traditional Name: 3-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]benzoic acid ethyl ester Formula: C26H35N5O5 MolecularWeight: 497.5866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C26H35N5O5/c1-4-7-9-16-30-20(28-23-22(30)24(33)29-26(35)31(23)15-8-5-2)13-14-21(32)27-19-12-10-11-18(17-19)25(34)36-6-3/h10-12,17H,4-9,13-16H2,1-3H3,(H,27,32)(H,29,33,35)