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

Systemtic Name: 5-[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-methyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)C)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)C)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-4-7-18(3)13-8-10(2)16-15(17-13)22-9-11-5-6-12(21-11)14(19)20/h5-6,8H,4,7,9H2,1-3H3,(H,19,20)