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

Systemtic Name: 3-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]adamantane-1-carboxylic acid Openeye Name: 3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)adamantane-1-carboxylic acid CAS Name: 3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-adamantanecarboxylic acid IUPAC Name: 3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)adamantane-1-carboxylic acid Traditional Name: 3-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)adamantane-1-carboxylic acid Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC(C5)(C4)C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC(C5)(C4)C(=O)O

InChI

InChI=1S/C22H30N4O4/c1-3-5-25-16-15(17(27)26(6-4-2)20(25)30)23-18(24-16)21-8-13-7-14(9-21)11-22(10-13,12-21)19(28)29/h13-14H,3-12H2,1-2H3,(H,23,24)(H,28,29)