[8-cyclopentyl-1-(2-hydroxyethyl)-2,6-bis(oxidanylidene)-3H-purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [8-cyclopentyl-1-(2-hydroxyethyl)-2,6-bis(oxidanylidene)-3H-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [8-cyclopentyl-1-(2-hydroxyethyl)-2,6-dioxo-3H-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-1-(2-hydroxyethyl)-2,6-dioxo-3H-purin-7-yl]methyl ester IUPAC Name: [8-cyclopentyl-1-(2-hydroxyethyl)-2,6-dioxo-3H-purin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [8-cyclopentyl-1-(2-hydroxyethyl)-2,6-diketo-3H-purin-7-yl]methyl ester Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=NC2=C1C(=O)N(C(=O)N2)CCO)C3CCCC3

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=NC2=C1C(=O)N(C(=O)N2)CCO)C3CCCC3

InChI

InChI=1S/C18H26N4O5/c1-18(2,3)16(25)27-10-22-12-13(19-14(22)11-6-4-5-7-11)20-17(26)21(8-9-23)15(12)24/h11,23H,4-10H2,1-3H3,(H,20,26)