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

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethenyl-2,3-dimethoxy-4-oxidanylidene-6-phenyl-2H-quinoline-3-carboxylic acid Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-4-oxo-6-phenyl-1-vinyl-2H-quinoline-3-carboxylic acid CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-1-ethenyl-2,3-dimethoxy-4-oxo-6-phenyl-2H-quinoline-3-carboxylic acid IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethenyl-2,3-dimethoxy-4-oxo-6-phenyl-2H-quinoline-3-carboxylic acid Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-4-keto-2,3-dimethoxy-6-phenyl-1-vinyl-2H-quinoline-3-carboxylic acid Formula: C25H25N5O5 MolecularWeight: 475.4965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(=O)C2=C(N1C=C)C=CC(=C2CC3=CN=C(N=C3N)N)C4=CC=CC=C4)(C(=O)O)OC

Isomeric SMILES

COC1C(C(=O)C2=C(N1C=C)C=CC(=C2CC3=CN=C(N=C3N)N)C4=CC=CC=C4)(C(=O)O)OC

InChI

InChI=1S/C25H25N5O5/c1-4-30-18-11-10-16(14-8-6-5-7-9-14)17(12-15-13-28-24(27)29-21(15)26)19(18)20(31)25(35-3,23(32)33)22(30)34-2/h4-11,13,22H,1,12H2,2-3H3,(H,32,33)(H4,26,27,28,29)