[4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)N4CCOCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)N4CCOCC4

InChI

InChI=1S/C23H31N5O2S/c1-3-20-16-21(27-12-14-30-15-13-27)25-23(24-20)31-17-18-4-6-19(7-5-18)22(29)28-10-8-26(2)9-11-28/h4-7,16H,3,8-15,17H2,1-2H3