2-(4-tert-butylphenoxy)ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-(4-tert-butylphenoxy)ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-(4-tert-butylphenoxy)ethyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid 2-(4-tert-butylphenoxy)ethyl ester IUPAC Name: 2-(4-tert-butylphenoxy)ethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid 2-(4-tert-butylphenoxy)ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCOC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCOC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H26N4O5/c1-21(2,3)14-6-8-15(9-7-14)29-10-11-30-16(26)12-25-13-22-18-17(25)19(27)24(5)20(28)23(18)4/h6-9,13H,10-12H2,1-5H3