methyl 4-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]butanoate

Systemtic Name: methyl 4-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]butanoate Openeye Name: methyl 4-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]butanoate CAS Name: 4-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]butanoate Traditional Name: 4-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]butyric acid methyl ester Formula: C22H35N5O5 MolecularWeight: 449.5438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCCC(=O)OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C22H35N5O5/c1-4-6-8-15-26-16(11-12-17(28)23-13-9-10-18(29)32-3)24-20-19(26)21(30)25-22(31)27(20)14-7-5-2/h4-15H2,1-3H3,(H,23,28)(H,25,30,31)