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

Systemtic Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide Openeye Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)furan-2-carboxamide CAS Name: 5-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)-2-furancarboxamide IUPAC Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide Traditional Name: 5-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)-2-furamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC=CO3)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC=CO3)N4CCN(CC4)C

InChI

InChI=1S/C22H27N5O3S/c1-3-16-13-20(27-10-8-26(2)9-11-27)25-22(24-16)31-15-18-6-7-19(30-18)21(28)23-14-17-5-4-12-29-17/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,23,28)