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

Systemtic Name: tert-butyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: tert-butyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid tert-butyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H18N4O4/c1-13(2,3)21-8(18)6-17-7-14-10-9(17)11(19)16(5)12(20)15(10)4/h7H,6H2,1-5H3