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

Systemtic Name: 1-[4-[3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]benzoyl]piperazino]ethanone Formula: C22H29N5O2S MolecularWeight: 427.56296

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S/c1-5-19-14-20(25(3)4)24-22(23-19)30-15-17-7-6-8-18(13-17)21(29)27-11-9-26(10-12-27)16(2)28/h6-8,13-14H,5,9-12,15H2,1-4H3