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

Systemtic Name: 2-azanyl-1-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 2-amino-1-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-amino-1-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-amino-1-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 2-amino-1-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]ethanone Formula: C21H29N7O2S MolecularWeight: 443.56566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2S/c1-31-21-24-18(14-19(25-21)27-6-8-28(9-7-27)20(29)15-22)23-16-2-4-17(5-3-16)26-10-12-30-13-11-26/h2-5,14H,6-13,15,22H2,1H3,(H,23,24,25)