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

Systemtic Name: [3-(1-ethoxy-1-oxidanylidene-butan-2-yl)-1-methyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [3-(1-ethoxycarbonylpropyl)-1-methyl-2,6-dioxo-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(1-ethoxy-1-oxobutan-2-yl)-1-methyl-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [3-(1-ethoxy-1-oxobutan-2-yl)-1-methyl-2,6-dioxopurin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(1-carbethoxypropyl)-2,6-diketo-1-methyl-purin-7-yl]methyl ester Formula: C18H26N4O6 MolecularWeight: 394.42224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C(C)(C)C

Isomeric SMILES

CCC(C(=O)OCC)N1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C(C)(C)C

InChI

InChI=1S/C18H26N4O6/c1-7-11(15(24)27-8-2)22-13-12(14(23)20(6)17(22)26)21(9-19-13)10-28-16(25)18(3,4)5/h9,11H,7-8,10H2,1-6H3