ethyl 4-azanyl-2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(2-methoxyphenyl)-5-isoxazolyl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=NO2)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=NO2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H18N4O4S/c1-3-25-17(23)13-9-20-18(21-16(13)19)27-10-11-8-14(22-26-11)12-6-4-5-7-15(12)24-2/h4-9H,3,10H2,1-2H3,(H2,19,20,21)