5-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-tert-butyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-tert-butyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-tert-butyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furoic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCCC3

InChI

InChI=1S/C18H23N3O3S/c1-18(2,3)14-10-15(21-8-4-5-9-21)20-17(19-14)25-11-12-6-7-13(24-12)16(22)23/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,22,23)