N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide CAS Name: 5-[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-2-furancarboxamide IUPAC Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide Traditional Name: 5-[[[4-(4-acetylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-piperonyl-2-furamide Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCN(CC5)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C26H29N5O5S/c1-3-19-13-24(31-10-8-30(9-11-31)17(2)32)29-26(28-19)37-15-20-5-7-22(36-20)25(33)27-14-18-4-6-21-23(12-18)35-16-34-21/h4-7,12-13H,3,8-11,14-16H2,1-2H3,(H,27,33)