5-[[4-ethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-furan-2-carboxamide

Systemtic Name: 5-[[4-ethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-furan-2-carboxamide Openeye Name: 5-[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-morpholino-furan-2-carboxamide CAS Name: 5-[[[4-ethyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-(4-morpholinyl)-2-furancarboxamide IUPAC Name: 5-[[4-[benzyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide Traditional Name: 5-[[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-morpholino-2-furamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NN3CCOCC3)N(C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NN3CCOCC3)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S/c1-3-19-15-22(28(2)16-18-7-5-4-6-8-18)26-24(25-19)33-17-20-9-10-21(32-20)23(30)27-29-11-13-31-14-12-29/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,27,30)