methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6-ethyl-2-methoxy-1-methyl-4-oxidanylidene-7-(2-phenylethynyl)quinoline-3-carboperoxoate

Systemtic Name: methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6-ethyl-2-methoxy-1-methyl-4-oxidanylidene-7-(2-phenylethynyl)quinoline-3-carboperoxoate Openeye Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-2-methoxy-1-methyl-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-6-ethyl-2-methoxy-1-methyl-4-oxo-7-(2-phenylethynyl)-3-quinolinecarboperoxoic acid methyl ester IUPAC Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-2-methoxy-1-methyl-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-4-keto-2-methoxy-1-methyl-7-(2-phenylethynyl)quinoline-3-carboperoxoic acid methyl ester Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1C#CC3=CC=CC=C3)N(C(=C(C2=O)C(=O)OOC)OC)C)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCC1=C(C2=C(C=C1C#CC3=CC=CC=C3)N(C(=C(C2=O)C(=O)OOC)OC)C)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C28H27N5O5/c1-5-19-17(12-11-16-9-7-6-8-10-16)14-21-22(20(19)13-18-15-31-28(30)32-25(18)29)24(34)23(27(35)38-37-4)26(36-3)33(21)2/h6-10,14-15H,5,13H2,1-4H3,(H4,29,30,31,32)