ethyl 4-[3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)propanoylamino]benzoate CAS Name: 4-[[3-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)propanoylamino]benzoate Traditional Name: 4-[3-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)propanoylamino]benzoic acid ethyl ester Formula: C24H31N5O5 MolecularWeight: 469.53344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C24H31N5O5/c1-4-7-15-28-18(26-21-20(28)22(31)27-24(33)29(21)14-5-2)12-13-19(30)25-17-10-8-16(9-11-17)23(32)34-6-3/h8-11H,4-7,12-15H2,1-3H3,(H,25,30)(H,27,31,33)