ethyl 4-[3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-(7-butyl-2,6-dioxo-3-propyl-purin-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(7-butyl-2,6-dioxo-3-propyl-1-purinyl)-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(7-butyl-2,6-dioxo-3-propylpurin-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(7-butyl-2,6-diketo-3-propyl-purin-1-yl)-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C24H32N4O6 MolecularWeight: 472.53408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(COC3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(COC3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C24H32N4O6/c1-4-7-13-26-16-25-21-20(26)22(30)28(24(32)27(21)12-5-2)14-18(29)15-34-19-10-8-17(9-11-19)23(31)33-6-3/h8-11,16,18,29H,4-7,12-15H2,1-3H3