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

Systemtic Name: 5-[[4-(methoxymethyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(methoxymethyl)-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(methoxymethyl)-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(methoxymethyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(methoxymethyl)-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1CCCCN1C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C18H23N3O4S/c1-12-5-3-4-8-21(12)16-9-13(10-24-2)19-18(20-16)26-11-14-6-7-15(25-14)17(22)23/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,22,23)