5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-furan-2-carboxamide

Systemtic Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-furan-2-carboxamide Openeye Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-morpholino-furan-2-carboxamide CAS Name: 5-[[[4-tert-butyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(4-morpholinyl)-2-furancarboxamide IUPAC Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide Traditional Name: 5-[[[4-tert-butyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-morpholino-2-furamide Formula: C24H36N6O3S MolecularWeight: 488.64604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C(C)(C)C)SCC3=CC=C(O3)C(=O)NN4CCOCC4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C(C)(C)C)SCC3=CC=C(O3)C(=O)NN4CCOCC4

InChI

InChI=1S/C24H36N6O3S/c1-5-28-8-10-29(11-9-28)21-16-20(24(2,3)4)25-23(26-21)34-17-18-6-7-19(33-18)22(31)27-30-12-14-32-15-13-30/h6-7,16H,5,8-15,17H2,1-4H3,(H,27,31)