6-[7-(ethoxymethyl)-3-methyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[7-(ethoxymethyl)-3-methyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[7-(ethoxymethyl)-3-methyl-2,6-dioxo-8-thioxo-9H-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[7-(ethoxymethyl)-3-methyl-2,6-dioxo-8-sulfanylidene-9H-purin-1-yl]hexan-2-yl ester IUPAC Name: 6-[7-(ethoxymethyl)-3-methyl-2,6-dioxo-8-sulfanylidene-9H-purin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-[7-(ethoxymethyl)-2,6-diketo-3-methyl-8-thioxo-9H-purin-1-yl]-1-methyl-pentyl] ester Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C2=C(NC1=S)N(C(=O)N(C2=O)CCCCC(C)OC(=O)C)C

Isomeric SMILES

CCOCN1C2=C(NC1=S)N(C(=O)N(C2=O)CCCCC(C)OC(=O)C)C

InChI

InChI=1S/C17H26N4O5S/c1-5-25-10-21-13-14(18-16(21)27)19(4)17(24)20(15(13)23)9-7-6-8-11(2)26-12(3)22/h11H,5-10H2,1-4H3,(H,18,27)