methyl 1-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C25H39N5O5 MolecularWeight: 489.60766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C25H39N5O5/c1-4-6-11-17-29-18(26-21-20(29)22(32)27-24(34)30(21)16-7-5-2)12-13-19(31)28-25(23(33)35-3)14-9-8-10-15-25/h4-17H2,1-3H3,(H,28,31)(H,27,32,34)