[3,7-dimethyl-2,6,8-tris(oxidanylidene)purin-9-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [3,7-dimethyl-2,6,8-tris(oxidanylidene)purin-9-yl]methyl 2,2-dimethylpropanoate Openeye Name: (3,7-dimethyl-2,6,8-trioxo-purin-9-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (3,7-dimethyl-2,6,8-trioxo-9-purinyl)methyl ester IUPAC Name: (3,7-dimethyl-2,6,8-trioxopurin-9-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2,6,8-triketo-3,7-dimethyl-purin-9-yl)methyl ester Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C2=C(C(=O)NC(=O)N2C)N(C1=O)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C2=C(C(=O)NC(=O)N2C)N(C1=O)C

InChI

InChI=1S/C13H18N4O5/c1-13(2,3)10(19)22-6-17-9-7(15(4)12(17)21)8(18)14-11(20)16(9)5/h6H2,1-5H3,(H,14,18,20)