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

Systemtic Name: 1-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]ethanone Formula: C21H28N6O2S MolecularWeight: 428.55102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H28N6O2S/c1-16(28)25-7-9-27(10-8-25)20-15-19(23-21(24-20)30-2)22-17-3-5-18(6-4-17)26-11-13-29-14-12-26/h3-6,15H,7-14H2,1-2H3,(H,22,23,24)