methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopentyl-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-cyclopentyl-6-ethyl-2-methoxy-4-oxidanylidene-7-(2-phenylethynyl)quinoline-3-carboperoxoate Openeye Name: methyl 1-cyclopentyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-2-methoxy-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate CAS Name: 1-cyclopentyl-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-cyclopentyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-2-methoxy-4-oxo-7-(2-phenylethynyl)quinoline-3-carboperoxoate Traditional Name: 1-cyclopentyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethyl-4-keto-2-methoxy-7-(2-phenylethynyl)quinoline-3-carboperoxoic acid methyl ester Formula: C32H33N5O5 MolecularWeight: 567.63492

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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)C4CCCC4)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)C4CCCC4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C32H33N5O5/c1-4-23-20(15-14-19-10-6-5-7-11-19)17-25-26(24(23)16-21-18-35-32(34)36-29(21)33)28(38)27(31(39)42-41-3)30(40-2)37(25)22-12-8-9-13-22/h5-7,10-11,17-18,22H,4,8-9,12-13,16H2,1-3H3,(H4,33,34,35,36)