6-[8-cyano-7-(ethoxymethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[8-cyano-7-(ethoxymethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[8-cyano-7-(ethoxymethyl)-3-methyl-2,6-dioxo-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[8-cyano-7-(ethoxymethyl)-3-methyl-2,6-dioxo-1-purinyl]hexan-2-yl ester IUPAC Name: 6-[8-cyano-7-(ethoxymethyl)-3-methyl-2,6-dioxopurin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-[8-cyano-7-(ethoxymethyl)-2,6-diketo-3-methyl-purin-1-yl]-1-methyl-pentyl] ester Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)OC(=O)C)C#N

Isomeric SMILES

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)OC(=O)C)C#N

InChI

InChI=1S/C18H25N5O5/c1-5-27-11-23-14(10-19)20-16-15(23)17(25)22(18(26)21(16)4)9-7-6-8-12(2)28-13(3)24/h12H,5-9,11H2,1-4H3