ethyl 2-[8-iodanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoate

Systemtic Name: ethyl 2-[8-iodanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoate Openeye Name: ethyl 2-(8-iodo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetate CAS Name: 2-(8-iodo-1,3-dimethyl-2,6-dioxo-9-purinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(8-iodo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetate Traditional Name: 2-(8-iodo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetic acid ethyl ester Formula: C11H13IN4O4 MolecularWeight: 392.14979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

InChI

InChI=1S/C11H13IN4O4/c1-4-20-6(17)5-16-8-7(13-10(16)12)9(18)15(3)11(19)14(8)2/h4-5H2,1-3H3