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

Systemtic Name: [7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)purin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: (7-but-2-ynyl-1-methyl-2,6-dioxo-purin-3-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (7-but-2-ynyl-1-methyl-2,6-dioxo-3-purinyl)methyl ester IUPAC Name: (7-but-2-ynyl-1-methyl-2,6-dioxopurin-3-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (7-but-2-ynyl-2,6-diketo-1-methyl-purin-3-yl)methyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C=NC2=C1C(=O)N(C(=O)N2COC(=O)C(C)(C)C)C

Isomeric SMILES

CC#CCN1C=NC2=C1C(=O)N(C(=O)N2COC(=O)C(C)(C)C)C

InChI

InChI=1S/C16H20N4O4/c1-6-7-8-19-9-17-12-11(19)13(21)18(5)15(23)20(12)10-24-14(22)16(2,3)4/h9H,8,10H2,1-5H3