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

Systemtic Name: methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-4-oxidanylidene-6-(2-phenylethynyl)-1H-quinoline-3-carboperoxoate Openeye Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-oxo-6-(2-phenylethynyl)-1H-quinoline-3-carboperoxoate CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxy-4-oxo-6-(2-phenylethynyl)-1H-quinoline-3-carboperoxoic acid methyl ester IUPAC Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-oxo-6-(2-phenylethynyl)-1H-quinoline-3-carboperoxoate Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-4-keto-2-methoxy-6-(2-phenylethynyl)-1H-quinoline-3-carboperoxoic acid methyl ester Formula: C25H21N5O5 MolecularWeight: 471.46474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(N1)C=CC(=C2CC3=CN=C(N=C3N)N)C#CC4=CC=CC=C4)C(=O)OOC

Isomeric SMILES

COC1=C(C(=O)C2=C(N1)C=CC(=C2CC3=CN=C(N=C3N)N)C#CC4=CC=CC=C4)C(=O)OOC

InChI

InChI=1S/C25H21N5O5/c1-33-23-20(24(32)35-34-2)21(31)19-17(12-16-13-28-25(27)30-22(16)26)15(10-11-18(19)29-23)9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,12H2,1-2H3,(H,29,31)(H4,26,27,28,30)