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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C(=O)N(C1=O)C)NC=N2)C(=O)OC

Isomeric SMILES

CC(C)(CN1C2=C(C(=O)N(C1=O)C)NC=N2)C(=O)OC

InChI

InChI=1S/C12H16N4O4/c1-12(2,10(18)20-4)5-16-8-7(13-6-14-8)9(17)15(3)11(16)19/h6H,5H2,1-4H3,(H,13,14)