methyl 2-methyl-2-[1,3,7-trimethyl-2,6,8-tris(oxidanylidene)purin-5-yl]propanoate

Systemtic Name: methyl 2-methyl-2-[1,3,7-trimethyl-2,6,8-tris(oxidanylidene)purin-5-yl]propanoate Openeye Name: methyl 2-methyl-2-(1,3,7-trimethyl-2,6,8-trioxo-purin-5-yl)propanoate CAS Name: 2-methyl-2-(1,3,7-trimethyl-2,6,8-trioxo-5-purinyl)propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-(1,3,7-trimethyl-2,6,8-trioxopurin-5-yl)propanoate Traditional Name: 2-methyl-2-(2,6,8-triketo-1,3,7-trimethyl-purin-5-yl)propionic acid methyl ester Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)C12C(=NC(=O)N1C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)(C(=O)OC)C12C(=NC(=O)N1C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H18N4O5/c1-12(2,9(19)22-6)13-7(14-10(20)17(13)5)15(3)11(21)16(4)8(13)18/h1-6H3