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

Systemtic Name: [4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [4-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [4-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]-morpholino-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)N3CCOCC3)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCOCC3)N4CCN(CC4)C

InChI

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