1-[4-[3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]benzoyl]piperazino]ethanone Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2S/c1-5-21-16-22(27(6-2)7-3)26-24(25-21)32-17-19-9-8-10-20(15-19)23(31)29-13-11-28(12-14-29)18(4)30/h8-10,15-16H,5-7,11-14,17H2,1-4H3