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

Systemtic Name: 5-[[4-(2-methylpiperidin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(2-methyl-1-piperidyl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(2-methyl-1-piperidinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(2-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(2-methylpiperidino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CC1CCCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C22H23N3O3S/c1-15-7-5-6-12-25(15)20-13-18(16-8-3-2-4-9-16)23-22(24-20)29-14-17-10-11-19(28-17)21(26)27/h2-4,8-11,13,15H,5-7,12,14H2,1H3,(H,26,27)