methyl 7-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]heptanoate

Systemtic Name: methyl 7-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]heptanoate Openeye Name: methyl 7-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoylamino]heptanoate CAS Name: 7-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoylamino]heptanoate Traditional Name: 7-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoylamino]enanthic acid methyl ester Formula: C18H27N5O5 MolecularWeight: 393.43748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C18H27N5O5/c1-21-16-15(17(26)22(2)18(21)27)23(12-20-16)11-9-13(24)19-10-7-5-4-6-8-14(25)28-3/h12H,4-11H2,1-3H3,(H,19,24)