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

Systemtic Name: methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopentyl-2-methoxy-4-oxidanylidene-7-(2-phenylethynyl)quinoline-3-carboperoxoate Openeye Name: methyl 1-cyclopentyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate CAS Name: 1-cyclopentyl-5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxy-4-oxo-7-(2-phenylethynyl)-3-quinolinecarboperoxoic acid methyl ester IUPAC Name: methyl 1-cyclopentyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate Traditional Name: 1-cyclopentyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-4-keto-2-methoxy-7-(2-phenylethynyl)quinoline-3-carboperoxoic acid methyl ester Formula: C30H29N5O5 MolecularWeight: 539.58176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C=C(C=C2N1C3CCCC3)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=C2N1C3CCCC3)C#CC4=CC=CC=C4)CC5=CN=C(N=C5N)N)C(=O)OOC

InChI

InChI=1S/C30H29N5O5/c1-38-28-25(29(37)40-39-2)26(36)24-20(16-21-17-33-30(32)34-27(21)31)14-19(13-12-18-8-4-3-5-9-18)15-23(24)35(28)22-10-6-7-11-22/h3-5,8-9,14-15,17,22H,6-7,10-11,16H2,1-2H3,(H4,31,32,33,34)