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

Systemtic Name: ethyl 4-[(4-hexylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-hexylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-hexylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hexylanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-hexylanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O2S MolecularWeight: 373.51228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C20H27N3O2S/c1-4-6-7-8-9-15-10-12-16(13-11-15)22-18-17(19(24)25-5-2)14-21-20(23-18)26-3/h10-14H,4-9H2,1-3H3,(H,21,22,23)