(2-ethylsulfanylphenyl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-ethylsulfanylphenyl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-ethylsulfanylphenyl)-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [2-(ethylthio)phenyl]-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-ethylsulfanylphenyl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [2-(ethylthio)phenyl]-[4-(6-morpholinopyrimidin-4-yl)piperazino]methanone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

InChI

InChI=1S/C21H27N5O2S/c1-2-29-18-6-4-3-5-17(18)21(27)26-9-7-24(8-10-26)19-15-20(23-16-22-19)25-11-13-28-14-12-25/h3-6,15-16H,2,7-14H2,1H3