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

Systemtic Name: methyl 2-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]-2-methyl-propanoate CAS Name: 2-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]-2-methylpropanoate Traditional Name: 2-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]-2-methyl-propionic 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)NC(C)(C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O5/c1-6-8-10-14-26-15(11-12-16(28)25-22(3,4)20(30)32-5)23-18-17(26)19(29)24-21(31)27(18)13-9-7-2/h6-14H2,1-5H3,(H,25,28)(H,24,29,31)