N-ethyl-5-[[4-ethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-methyl-furan-2-carboxamide

Systemtic Name: N-ethyl-5-[[4-ethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-methyl-furan-2-carboxamide Openeye Name: 5-[[4-[4-[(E)-cinnamyl]piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-furan-2-carboxamide CAS Name: N-ethyl-5-[[[4-ethyl-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-methyl-2-furancarboxamide IUPAC Name: N-ethyl-5-[[4-ethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-methylfuran-2-carboxamide Traditional Name: 5-[[[4-[4-[(E)-cinnamyl]piperazino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-N-methyl-2-furamide Formula: C28H35N5O2S MolecularWeight: 505.6748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N(C)CC)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N(C)CC)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H35N5O2S/c1-4-23-20-26(33-18-16-32(17-19-33)15-9-12-22-10-7-6-8-11-22)30-28(29-23)36-21-24-13-14-25(35-24)27(34)31(3)5-2/h6-14,20H,4-5,15-19,21H2,1-3H3/b12-9+