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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C19H17N5O5/c1-22-16-15(17(26)23(2)19(22)28)24(10-20-16)7-8-29-18(27)12-9-14(25)21-13-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3,(H,21,25)