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

Systemtic Name: 2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone Openeye Name: 2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-pyrrolidin-1-yl-1-piperidyl)ethanone CAS Name: 2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]-1-[4-(1-pyrrolidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone Traditional Name: 2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]-1-(4-pyrrolidinopiperidino)ethanone Formula: C30H44N8O2S MolecularWeight: 580.78776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCC(CC5)N6CCCC6

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCC(CC5)N6CCCC6

InChI

InChI=1S/C30H44N8O2S/c1-41-30-32-27(31-24-4-6-25(7-5-24)36-18-20-40-21-19-36)22-28(33-30)37-16-14-34(15-17-37)23-29(39)38-12-8-26(9-13-38)35-10-2-3-11-35/h4-7,22,26H,2-3,8-21,23H2,1H3,(H,31,32,33)