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

Systemtic Name: methyl 2-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]ethanoate Openeye Name: methyl 2-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]acetate CAS Name: 2-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]acetate Traditional Name: 2-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]acetic acid methyl ester Formula: C20H31N5O5 MolecularWeight: 421.49064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O5/c1-4-6-8-12-24-14(9-10-15(26)21-13-16(27)30-3)22-18-17(24)19(28)23-20(29)25(18)11-7-5-2/h4-13H2,1-3H3,(H,21,26)(H,23,28,29)