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

Systemtic Name: 1-[4-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]benzoyl]piperazino]ethanone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C)N(C)C

InChI

InChI=1S/C21H27N5O2S/c1-15-13-19(24(3)4)23-21(22-15)29-14-17-5-7-18(8-6-17)20(28)26-11-9-25(10-12-26)16(2)27/h5-8,13H,9-12,14H2,1-4H3