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

Systemtic Name: N-ethyl-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-ethyl-furan-2-carboxamide CAS Name: N-ethyl-5-[[[4-ethyl-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-ethyl-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-ethyl-2-furamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O2S/c1-3-22-19-25(30-27(29-22)35-20-23-12-13-24(34-23)26(33)28-4-2)32-17-15-31(16-18-32)14-8-11-21-9-6-5-7-10-21/h5-13,19H,3-4,14-18,20H2,1-2H3,(H,28,33)/b11-8+