cyclohexyl 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoate

Systemtic Name: cyclohexyl 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoate Openeye Name: cyclohexyl 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoate CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoate Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionic acid cyclohexyl ester Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3CCCCC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3CCCCC3

InChI

InChI=1S/C23H36N4O4/c1-3-5-10-16-26-18(13-14-19(28)31-17-11-8-7-9-12-17)24-21-20(26)22(29)25-23(30)27(21)15-6-4-2/h17H,3-16H2,1-2H3,(H,25,29,30)