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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H22N4O4/c1-4-23-11(20)8-6-5-7-9-19-10-16-13-12(19)14(21)18(3)15(22)17(13)2/h10H,4-9H2,1-3H3