5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide

Systemtic Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide Openeye Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)furan-2-carboxamide CAS Name: 5-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)-2-furancarboxamide IUPAC Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide Traditional Name: 5-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)-2-furamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC=NC=C3)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC=NC=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H28N6O2S/c1-3-18-14-21(29-12-10-28(2)11-13-29)27-23(26-18)32-16-19-4-5-20(31-19)22(30)25-15-17-6-8-24-9-7-17/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,25,30)