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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic 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-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5/c1-23-11-21-17-16(23)18(27)25(20(29)24(17)2)8-5-9-30-19(28)13-10-15(26)22-14-7-4-3-6-12(13)14/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,22,26)