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

Systemtic Name: [8-cyclopentyl-2,6-bis(oxidanylidene)-1-(2-oxidanylpropyl)-3-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [8-cyclopentyl-1-(2-hydroxypropyl)-2,6-dioxo-3-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-1-(2-hydroxypropyl)-2,6-dioxo-3-propyl-7-purinyl]methyl ester IUPAC Name: [8-cyclopentyl-1-(2-hydroxypropyl)-2,6-dioxo-3-propylpurin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [8-cyclopentyl-1-(2-hydroxypropyl)-2,6-diketo-3-propyl-purin-7-yl]methyl ester Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O5/c1-6-11-24-18-16(19(28)25(21(24)30)12-14(2)27)26(13-31-20(29)22(3,4)5)17(23-18)15-9-7-8-10-15/h14-15,27H,6-13H2,1-5H3