[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=O)NC4=CC=CC=C43)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=O)NC4=CC=CC=C43)CC

InChI

InChI=1S/C22H23N5O5/c1-3-5-10-27-19-18(20(29)25-22(27)31)26(4-2)16(24-19)12-32-21(30)14-11-17(28)23-15-9-7-6-8-13(14)15/h6-9,11H,3-5,10,12H2,1-2H3,(H,23,28)(H,25,29,31)