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

Systemtic Name: [8-cyclopentyl-2,6-bis(oxidanylidene)-1-(3-oxidanylpropyl)-3-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxo-3-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxo-3-propyl-7-purinyl]methyl ester IUPAC Name: [8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxo-3-propylpurin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [8-cyclopentyl-1-(3-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)CCCO)N(C(=N2)C3CCCC3)COC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O5/c1-5-11-24-18-16(19(28)25(21(24)30)12-8-13-27)26(14-31-20(29)22(2,3)4)17(23-18)15-9-6-7-10-15/h15,27H,5-14H2,1-4H3