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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(=O)C2=C(C=CC=C2N1C3=CC=CC=C3)CC4=CN=C(N=C4N)N)(C(=O)OC=C)OC

Isomeric SMILES

COC1C(C(=O)C2=C(C=CC=C2N1C3=CC=CC=C3)CC4=CN=C(N=C4N)N)(C(=O)OC=C)OC

InChI

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