4-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 4-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 4-[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 4-[[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-[[[4-(4-acetylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H29N5O3S/c1-3-21-15-23(30-12-10-29(11-13-30)18(2)31)28-25(27-21)34-17-19-6-8-20(9-7-19)24(32)26-16-22-5-4-14-33-22/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,26,32)