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

Systemtic Name: [8-cyclopentyl-2,6-bis(oxidanylidene)-1-(3-oxidanylpropyl)-3H-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxo-3H-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxo-3H-purin-7-yl]methyl ester IUPAC Name: [8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxo-3H-purin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [8-cyclopentyl-1-(3-hydroxypropyl)-2,6-diketo-3H-purin-7-yl]methyl ester Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5/c1-19(2,3)17(26)28-11-23-13-14(20-15(23)12-7-4-5-8-12)21-18(27)22(16(13)25)9-6-10-24/h12,24H,4-11H2,1-3H3,(H,21,27)