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

Systemtic Name: 5-[[4-[methyl-(phenylmethyl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[benzyl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[methyl-(phenylmethyl)amino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[benzyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[benzyl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-14(2)17-11-19(24(3)12-15-7-5-4-6-8-15)23-21(22-17)28-13-16-9-10-18(27-16)20(25)26/h4-11,14H,12-13H2,1-3H3,(H,25,26)