1-[4-[5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-2-furoyl]piperazino]ethanone Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCN(CC3)C(=O)C)N(C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCN(CC3)C(=O)C)N(C)C

InChI

InChI=1S/C20H27N5O3S/c1-5-15-12-18(23(3)4)22-20(21-15)29-13-16-6-7-17(28-16)19(27)25-10-8-24(9-11-25)14(2)26/h6-7,12H,5,8-11,13H2,1-4H3