ethyl 2-methylsulfanyl-4-[(4-pyrazin-2-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-pyrazin-2-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(pyrazine-2-carbonyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[oxo(2-pyrazinyl)methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(pyrazine-2-carbonyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(4-pyrazinoyloxyanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H17N5O4S MolecularWeight: 411.43438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=NC=CN=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=NC=CN=C3)SC

InChI

InChI=1S/C19H17N5O4S/c1-3-27-17(25)14-10-22-19(29-2)24-16(14)23-12-4-6-13(7-5-12)28-18(26)15-11-20-8-9-21-15/h4-11H,3H2,1-2H3,(H,22,23,24)