[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: (3-methyl-2,6-dioxo-7H-purin-1-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (3-methyl-2,6-dioxo-7H-purin-1-yl)methyl ester IUPAC Name: (3-methyl-2,6-dioxo-7H-purin-1-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2,6-diketo-3-methyl-7H-purin-1-yl)methyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=CN2)N(C1=O)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=O)C2=C(N=CN2)N(C1=O)C

InChI

InChI=1S/C12H16N4O4/c1-12(2,3)10(18)20-6-16-9(17)7-8(14-5-13-7)15(4)11(16)19/h5H,6H2,1-4H3,(H,13,14)