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

Systemtic Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide Openeye Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-furan-2-carboxamide CAS Name: 5-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)-2-furancarboxamide IUPAC Name: 5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide Traditional Name: 5-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-isobutyl-2-furamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC(C)C)N3CCN(CC3)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC(C)C)N3CCN(CC3)C

InChI

InChI=1S/C21H31N5O2S/c1-5-16-12-19(26-10-8-25(4)9-11-26)24-21(23-16)29-14-17-6-7-18(28-17)20(27)22-13-15(2)3/h6-7,12,15H,5,8-11,13-14H2,1-4H3,(H,22,27)