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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

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