5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-1-methyl-4-oxidanylidene-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-1-methyl-4-oxidanylidene-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-1-methyl-4-oxo-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxy-1-methyl-4-oxo-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-1-methyl-4-oxo-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-4-keto-2,3-dimethoxy-1-methyl-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C(=O)C2=C1C=CC(=C2CC3=CN=C(N=C3N)N)C#CC4=CC=CC=C4)(C(=O)O)OC)OC

Isomeric SMILES

CN1C(C(C(=O)C2=C1C=CC(=C2CC3=CN=C(N=C3N)N)C#CC4=CC=CC=C4)(C(=O)O)OC)OC

InChI

InChI=1S/C26H25N5O5/c1-31-19-12-11-16(10-9-15-7-5-4-6-8-15)18(13-17-14-29-25(28)30-22(17)27)20(19)21(32)26(36-3,24(33)34)23(31)35-2/h4-8,11-12,14,23H,13H2,1-3H3,(H,33,34)(H4,27,28,29,30)