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

Systemtic Name: methyl 3-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)purin-3-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-(7-but-2-ynyl-1-methyl-2,6-dioxo-purin-3-yl)-2,2-dimethyl-propanoate CAS Name: 3-(7-but-2-ynyl-1-methyl-2,6-dioxo-3-purinyl)-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-(7-but-2-ynyl-1-methyl-2,6-dioxopurin-3-yl)-2,2-dimethylpropanoate Traditional Name: 3-(7-but-2-ynyl-2,6-diketo-1-methyl-purin-3-yl)-2,2-dimethyl-propionic acid 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)N2CC(C)(C)C(=O)OC)C

Isomeric SMILES

CC#CCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)(C)C(=O)OC)C

InChI

InChI=1S/C16H20N4O4/c1-6-7-8-19-10-17-12-11(19)13(21)18(4)15(23)20(12)9-16(2,3)14(22)24-5/h10H,8-9H2,1-5H3