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

Systemtic Name: methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6-ethyl-2-methoxy-4-oxidanylidene-1-phenyl-7-(2-phenylethynyl)quinoline-3-carboperoxoate Openeye Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-2-methoxy-4-oxo-1-phenyl-7-(2-phenylethynyl)quinoline-3-carboperoxoate CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-6-ethyl-2-methoxy-4-oxo-1-phenyl-7-(2-phenylethynyl)-3-quinolinecarboperoxoic acid methyl ester IUPAC Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-2-methoxy-4-oxo-1-phenyl-7-(2-phenylethynyl)quinoline-3-carboperoxoate Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-4-keto-2-methoxy-1-phenyl-7-(2-phenylethynyl)quinoline-3-carboperoxoic acid methyl ester Formula: C33H29N5O5 MolecularWeight: 575.61386

Click to see the large picture

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)C4=CC=CC=C4)CC5=CN=C(N=C5N)N

Isomeric SMILES

CCC1=C(C2=C(C=C1C#CC3=CC=CC=C3)N(C(=C(C2=O)C(=O)OOC)OC)C4=CC=CC=C4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C33H29N5O5/c1-4-24-21(16-15-20-11-7-5-8-12-20)18-26-27(25(24)17-22-19-36-33(35)37-30(22)34)29(39)28(32(40)43-42-3)31(41-2)38(26)23-13-9-6-10-14-23/h5-14,18-19H,4,17H2,1-3H3,(H4,34,35,36,37)