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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCO)N(C(=N2)C3CCCC3)COC(=O)C(C)(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCO)N(C(=N2)C3CCCC3)COC(=O)C(C)(C)C

InChI

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