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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O5/c1-3-5-11-28-20-19(21(30)26-23(28)32)27(10-4-2)17(25-20)13-33-22(31)15-12-18(29)24-16-9-7-6-8-14(15)16/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,24,29)(H,26,30,32)