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

Systemtic Name: methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-heptan-2-yl-2-methoxy-4-oxidanylidene-7-(2-phenylethynyl)quinoline-3-carboperoxoate Openeye Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-1-(1-methylhexyl)-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-1-heptan-2-yl-2-methoxy-4-oxo-7-(2-phenylethynyl)-3-quinolinecarboperoxoic acid methyl ester IUPAC Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-1-heptan-2-yl-2-methoxy-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-4-keto-2-methoxy-1-(1-methylhexyl)-7-(2-phenylethynyl)quinoline-3-carboperoxoic acid methyl ester Formula: C32H35N5O5 MolecularWeight: 569.6508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C2=CC(=CC(=C2C(=O)C(=C1OC)C(=O)OOC)CC3=CN=C(N=C3N)N)C#CC4=CC=CC=C4

Isomeric SMILES

CCCCCC(C)N1C2=CC(=CC(=C2C(=O)C(=C1OC)C(=O)OOC)CC3=CN=C(N=C3N)N)C#CC4=CC=CC=C4

InChI

InChI=1S/C32H35N5O5/c1-5-6-8-11-20(2)37-25-17-22(15-14-21-12-9-7-10-13-21)16-23(18-24-19-35-32(34)36-29(24)33)26(25)28(38)27(30(37)40-3)31(39)42-41-4/h7,9-10,12-13,16-17,19-20H,5-6,8,11,18H2,1-4H3,(H4,33,34,35,36)