1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl hexanoate

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl hexanoate Openeye Name: 1-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl hexanoate CAS Name: hexanoic acid 1-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 1-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl hexanoate Traditional Name: hexanoic acid 1-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H22N4O4/c1-5-6-7-8-11(20)23-10(2)19-9-16-13-12(19)14(21)18(4)15(22)17(13)3/h9-10H,5-8H2,1-4H3