6-[8-(hydroxymethyl)-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[8-(hydroxymethyl)-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[8-(hydroxymethyl)-3,7-dimethyl-2,6-dioxo-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[8-(hydroxymethyl)-3,7-dimethyl-2,6-dioxo-1-purinyl]hexan-2-yl ester IUPAC Name: 6-[8-(hydroxymethyl)-3,7-dimethyl-2,6-dioxopurin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-(2,6-diketo-3,7-dimethyl-8-methylol-purin-1-yl)-1-methyl-pentyl] ester Formula: C16H24N4O5 MolecularWeight: 352.38556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)CO)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)CO)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C16H24N4O5/c1-10(25-11(2)22)7-5-6-8-20-15(23)13-14(19(4)16(20)24)17-12(9-21)18(13)3/h10,21H,5-9H2,1-4H3