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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl quinoline-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl quinoline-2-carboxylate CAS Name: 2-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 quinoline-2-carboxylate Traditional Name: quinaldic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H19N5O4/c1-23-12-21-17-16(23)18(26)25(20(28)24(17)2)10-5-11-29-19(27)15-9-8-13-6-3-4-7-14(13)22-15/h3-4,6-9,12H,5,10-11H2,1-2H3