5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-4-oxidanylidene-1-(oxolan-2-ylmethyl)-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-4-oxidanylidene-1-(oxolan-2-ylmethyl)-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-4-oxo-6-(2-phenylethynyl)-1-(tetrahydrofuran-2-ylmethyl)-2H-quinoline-3-carboxylic acid CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxy-4-oxo-1-(2-oxolanylmethyl)-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-4-oxo-1-(oxolan-2-ylmethyl)-6-(2-phenylethynyl)-2H-quinoline-3-carboxylic acid Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-4-keto-2,3-dimethoxy-6-(2-phenylethynyl)-1-(tetrahydrofurfuryl)-2H-quinoline-3-carboxylic acid Formula: C30H31N5O6 MolecularWeight: 557.59704

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(=O)C2=C(N1CC3CCCO3)C=CC(=C2CC4=CN=C(N=C4N)N)C#CC5=CC=CC=C5)(C(=O)O)OC

Isomeric SMILES

COC1C(C(=O)C2=C(N1CC3CCCO3)C=CC(=C2CC4=CN=C(N=C4N)N)C#CC5=CC=CC=C5)(C(=O)O)OC

InChI

InChI=1S/C30H31N5O6/c1-39-27-30(40-2,28(37)38)25(36)24-22(15-20-16-33-29(32)34-26(20)31)19(11-10-18-7-4-3-5-8-18)12-13-23(24)35(27)17-21-9-6-14-41-21/h3-5,7-8,12-13,16,21,27H,6,9,14-15,17H2,1-2H3,(H,37,38)(H4,31,32,33,34)