4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]cubane-1-carboxylic acid

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]cubane-1-carboxylic acid Openeye Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cubane-1-carboxylic acid CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-cubanecarboxylic acid IUPAC Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cubane-1-carboxylic acid Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)cubane-1-carboxylic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34C5C6C3C7C4C5C67C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34C5C6C3C7C4C5C67C(=O)O

InChI

InChI=1S/C20H22N4O4/c1-3-5-23-14-13(15(25)24(6-4-2)18(23)28)21-16(22-14)19-7-10-8(19)12-9(19)11(7)20(10,12)17(26)27/h7-12H,3-6H2,1-2H3,(H,21,22)(H,26,27)