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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl quinoline-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NC4=CC=CC=C4C=C3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NC4=CC=CC=C4C=C3)CCC

InChI

InChI=1S/C23H25N5O4/c1-3-5-13-28-20-19(21(29)26-23(28)31)27(12-4-2)18(25-20)14-32-22(30)17-11-10-15-8-6-7-9-16(15)24-17/h6-11H,3-5,12-14H2,1-2H3,(H,26,29,31)