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

Systemtic Name: N-ethyl-5-[[4-ethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: 5-[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-furan-2-carboxamide CAS Name: N-ethyl-5-[[[4-ethyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: 5-[[4-[benzyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-ethylfuran-2-carboxamide Traditional Name: 5-[[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-2-furamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-4-17-13-20(26(3)14-16-9-7-6-8-10-16)25-22(24-17)29-15-18-11-12-19(28-18)21(27)23-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)