5-[(4-tert-butyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-tert-butyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-tert-butyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-tert-butyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-tert-butyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-2-furoic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCOCC3

InChI

InChI=1S/C18H23N3O4S/c1-18(2,3)14-10-15(21-6-8-24-9-7-21)20-17(19-14)26-11-12-4-5-13(25-12)16(22)23/h4-5,10H,6-9,11H2,1-3H3,(H,22,23)