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

Systemtic Name: [8-cyclopentyl-3-(2-hydroxyethyl)-2,6-bis(oxidanylidene)-1-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [8-cyclopentyl-3-(2-hydroxyethyl)-2,6-dioxo-1-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-3-(2-hydroxyethyl)-2,6-dioxo-1-propyl-7-purinyl]methyl ester IUPAC Name: [8-cyclopentyl-3-(2-hydroxyethyl)-2,6-dioxo-1-propylpurin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [8-cyclopentyl-3-(2-hydroxyethyl)-2,6-diketo-1-propyl-purin-7-yl]methyl ester Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2COC(=O)C(C)(C)C)C3CCCC3)N(C1=O)CCO

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2COC(=O)C(C)(C)C)C3CCCC3)N(C1=O)CCO

InChI

InChI=1S/C21H32N4O5/c1-5-10-24-18(27)15-17(23(11-12-26)20(24)29)22-16(14-8-6-7-9-14)25(15)13-30-19(28)21(2,3)4/h14,26H,5-13H2,1-4H3