3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-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-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

InChI

InChI=1S/C25H23N5O5/c1-15-9-10-20(35-15)19-13-17(16-7-4-5-8-18(16)27-19)24(32)34-12-6-11-30-23(31)21-22(26-14-28(21)2)29(3)25(30)33/h4-5,7-10,13-14H,6,11-12H2,1-3H3