ethyl 2-methylsulfanyl-4-[[3-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoyloxy]phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoyloxy]phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxy]anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxy]anilino]pyrimidine-5-carboxylate Traditional Name: 4-[3-[3-(3-keto-4H-quinoxalin-2-yl)propanoyloxy]anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H23N5O5S MolecularWeight: 505.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4NC3=O)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4NC3=O)SC

InChI

InChI=1S/C25H23N5O5S/c1-3-34-24(33)17-14-26-25(36-2)30-22(17)27-15-7-6-8-16(13-15)35-21(31)12-11-20-23(32)29-19-10-5-4-9-18(19)28-20/h4-10,13-14H,3,11-12H2,1-2H3,(H,29,32)(H,26,27,30)