2-[4-[2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidin-5-yl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidin-5-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-methylsulfanyl-4-(4-morpholinoanilino)pyrimidine-5-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[2-(methylthio)-4-[4-(4-morpholinyl)anilino]-5-pyrimidinyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-methylsulfanyl-4-(4-morpholin-4-ylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(methylthio)-4-(4-morpholinoanilino)pyrimidine-5-carbonyl]piperazino]acetic acid Formula: C22H28N6O4S MolecularWeight: 472.56052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)N3CCOCC3)C(=O)N4CCN(CC4)CC(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)N3CCOCC3)C(=O)N4CCN(CC4)CC(=O)O

InChI

InChI=1S/C22H28N6O4S/c1-33-22-23-14-18(21(31)28-8-6-26(7-9-28)15-19(29)30)20(25-22)24-16-2-4-17(5-3-16)27-10-12-32-13-11-27/h2-5,14H,6-13,15H2,1H3,(H,29,30)(H,23,24,25)