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

Systemtic Name: [4-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [4-[[[4-ethyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [4-[[[4-ethyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]-morpholino-methanone Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2S/c1-3-21-17-22(28-11-9-27(4-2)10-12-28)26-24(25-21)32-18-19-5-7-20(8-6-19)23(30)29-13-15-31-16-14-29/h5-8,17H,3-4,9-16,18H2,1-2H3