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

Systemtic Name: N-cyclopropyl-5-[[4-ethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: 5-[[4-[4-[(E)-cinnamyl]piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide CAS Name: N-cyclopropyl-5-[[[4-ethyl-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-cyclopropyl-5-[[4-ethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: 5-[[[4-[4-[(E)-cinnamyl]piperazino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-2-furamide Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H33N5O2S/c1-2-22-19-26(33-17-15-32(16-18-33)14-6-9-21-7-4-3-5-8-21)31-28(30-22)36-20-24-12-13-25(35-24)27(34)29-23-10-11-23/h3-9,12-13,19,23H,2,10-11,14-18,20H2,1H3,(H,29,34)/b9-6+