N-ethyl-5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-ethyl-5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-furan-2-carboxamide CAS Name: N-ethyl-5-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-ethylfuran-2-carboxamide Traditional Name: 5-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-2-furamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2S/c1-3-20-16-23(30-14-12-29(13-15-30)17-19-8-6-5-7-9-19)28-25(27-20)33-18-21-10-11-22(32-21)24(31)26-4-2/h5-11,16H,3-4,12-15,17-18H2,1-2H3,(H,26,31)