2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]acetic acid Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3S/c1-31-21-23-18(14-19(24-21)27-8-6-25(7-9-27)15-20(28)29)22-16-2-4-17(5-3-16)26-10-12-30-13-11-26/h2-5,14H,6-13,15H2,1H3,(H,28,29)(H,22,23,24)