3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C24H21N5O5/c1-27-14-25-21-20(27)22(30)29(24(32)28(21)2)10-6-12-34-23(31)16-13-18(19-9-5-11-33-19)26-17-8-4-3-7-15(16)17/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3