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

Systemtic Name: ethyl 2-[8-imidazol-1-yl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: ethyl 2-(8-imidazol-1-yl-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-[8-(1-imidazolyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(8-imidazol-1-yl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-imidazol-1-yl-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid ethyl ester Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C1N3C=CN=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C1N3C=CN=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H16N6O4/c1-4-24-9(21)7-20-10-11(16-13(20)19-6-5-15-8-19)17(2)14(23)18(3)12(10)22/h5-6,8H,4,7H2,1-3H3