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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H22N4O5/c1-16(2,3)10(21)8-25-11(22)6-7-20-9-17-13-12(20)14(23)19(5)15(24)18(13)4/h9H,6-8H2,1-5H3