ethyl 5-methyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxy-pyrimidin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxy-pyrimidin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[2-methylsulfanyl-6-(1-naphthyloxy)pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[2-(methylthio)-6-(1-naphthalenyloxy)-4-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[2-(methylthio)-6-(1-naphthoxy)pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC(=N2)SC)OC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC(=N2)SC)OC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C22H20N4O3S/c1-4-28-21(27)17-13-23-26(14(17)2)19-12-20(25-22(24-19)30-3)29-18-11-7-9-15-8-5-6-10-16(15)18/h5-13H,4H2,1-3H3