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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[4-ethyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: 5-[[[4-ethyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-piperonyl-2-furamide Formula: C26H31N5O4S MolecularWeight: 509.62044

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O4S/c1-3-19-14-24(31-11-9-30(4-2)10-12-31)29-26(28-19)36-16-20-6-8-22(35-20)25(32)27-15-18-5-7-21-23(13-18)34-17-33-21/h5-8,13-14H,3-4,9-12,15-17H2,1-2H3,(H,27,32)