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

Systemtic Name: 5-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furoic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCCC3

InChI

InChI=1S/C15H17N3O3S/c1-10-8-13(18-6-2-3-7-18)17-15(16-10)22-9-11-4-5-12(21-11)14(19)20/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,20)