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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C27H25N5O5 MolecularWeight: 499.5179

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O5/c1-30-16-28-24-23(30)25(33)32(27(35)31(24)2)13-6-14-37-26(34)20-15-22(17-9-11-18(36-3)12-10-17)29-21-8-5-4-7-19(20)21/h4-5,7-12,15-16H,6,13-14H2,1-3H3