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

Systemtic Name: 1-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-3-(2-carboxyethyl)cyclopentane-1-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-1-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclopentanecarboxylic acid CAS Name: 3-(2-carboxyethyl)-1-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-cyclopentanecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-1-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclopentane-1-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-1-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)cyclopentanecarboxylic acid Formula: C20H28N4O6 MolecularWeight: 420.45952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O6/c1-3-9-23-15-14(16(27)24(10-4-2)19(23)30)21-17(22-15)20(18(28)29)8-7-12(11-20)5-6-13(25)26/h12H,3-11H2,1-2H3,(H,21,22)(H,25,26)(H,28,29)