methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopropyl-2-methoxy-4-oxidanylidene-7-(2-phenylethynyl)quinoline-3-carboperoxoate

Systemtic Name: methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopropyl-2-methoxy-4-oxidanylidene-7-(2-phenylethynyl)quinoline-3-carboperoxoate Openeye Name: methyl 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate CAS Name: 1-cyclopropyl-5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxy-4-oxo-7-(2-phenylethynyl)-3-quinolinecarboperoxoic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate Traditional Name: 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-4-keto-2-methoxy-7-(2-phenylethynyl)quinoline-3-carboperoxoic acid methyl ester Formula: C28H25N5O5 MolecularWeight: 511.5286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C=C(C=C2N1C3CC3)C#CC4=CC=CC=C4)CC5=CN=C(N=C5N)N)C(=O)OOC

Isomeric SMILES

COC1=C(C(=O)C2=C(C=C(C=C2N1C3CC3)C#CC4=CC=CC=C4)CC5=CN=C(N=C5N)N)C(=O)OOC

InChI

InChI=1S/C28H25N5O5/c1-36-26-23(27(35)38-37-2)24(34)22-18(14-19-15-31-28(30)32-25(19)29)12-17(9-8-16-6-4-3-5-7-16)13-21(22)33(26)20-10-11-20/h3-7,12-13,15,20H,10-11,14H2,1-2H3,(H4,29,30,31,32)