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

Systemtic Name: 5-[[4-[methyl-(1-methylpiperidin-4-yl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-isopropyl-6-[methyl-(1-methyl-4-piperidyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[methyl-(1-methyl-4-piperidinyl)amino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[methyl-(1-methylpiperidin-4-yl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-isopropyl-6-[methyl-(1-methyl-4-piperidyl)amino]pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)C3CCN(CC3)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)C3CCN(CC3)C

InChI

InChI=1S/C20H28N4O3S/c1-13(2)16-11-18(24(4)14-7-9-23(3)10-8-14)22-20(21-16)28-12-15-5-6-17(27-15)19(25)26/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,25,26)