ethyl 4-[2-(4-hydroxyphenyl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(4-hydroxyphenyl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-hydroxyphenyl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(4-hydroxyphenyl)ethylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-hydroxyphenyl)ethylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[2-(4-hydroxyphenyl)ethylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCCC2=CC=C(C=C2)O)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCCC2=CC=C(C=C2)O)SC

InChI

InChI=1S/C16H19N3O3S/c1-3-22-15(21)13-10-18-16(23-2)19-14(13)17-9-8-11-4-6-12(20)7-5-11/h4-7,10,20H,3,8-9H2,1-2H3,(H,17,18,19)