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

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

CCC1=C(C2=C(C=C1C#CC3=CC=CC=C3)N(C(=C(C2=O)C(=O)OOC)OC)C4CC4)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)C4CC4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C30H29N5O5/c1-4-21-18(11-10-17-8-6-5-7-9-17)15-23-24(22(21)14-19-16-33-30(32)34-27(19)31)26(36)25(29(37)40-39-3)28(38-2)35(23)20-12-13-20/h5-9,15-16,20H,4,12-14H2,1-3H3,(H4,31,32,33,34)