1-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-3-(2-ethoxy-2-oxidanylidene-ethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 1-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-3-(2-ethoxy-2-oxidanylidene-ethyl)cyclopentane-1-carboxylic acid Openeye Name: 1-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-3-(2-ethoxy-2-oxo-ethyl)cyclopentanecarboxylic acid CAS Name: 1-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-3-(2-ethoxy-2-oxoethyl)-1-cyclopentanecarboxylic acid IUPAC Name: 1-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-3-(2-ethoxy-2-oxoethyl)cyclopentane-1-carboxylic acid Traditional Name: 1-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)-3-(2-ethoxy-2-keto-ethyl)cyclopentanecarboxylic acid Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3(CCC(C3)CC(=O)OCC)C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3(CCC(C3)CC(=O)OCC)C(=O)O

InChI

InChI=1S/C21H30N4O6/c1-4-9-24-16-15(17(27)25(10-5-2)20(24)30)22-18(23-16)21(19(28)29)8-7-13(12-21)11-14(26)31-6-3/h13H,4-12H2,1-3H3,(H,22,23)(H,28,29)