ethyl 4-azanyl-2-[(4-cyanophenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-cyanophenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-cyanophenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-cyanophenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-cyanophenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-cyanobenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14N4O2S MolecularWeight: 314.36226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H14N4O2S/c1-2-21-14(20)12-8-18-15(19-13(12)17)22-9-11-5-3-10(7-16)4-6-11/h3-6,8H,2,9H2,1H3,(H2,17,18,19)