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

Systemtic Name: 5-[[4-methyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[benzyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-methyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[benzyl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c1-13-10-17(22(2)11-14-6-4-3-5-7-14)21-19(20-13)26-12-15-8-9-16(25-15)18(23)24/h3-10H,11-12H2,1-2H3,(H,23,24)