3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]chromen-2-one

Systemtic Name: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]chromen-2-one Openeye Name: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one CAS Name: 3-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one Traditional Name: 3-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]coumarin Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C

InChI

InChI=1S/C17H14N2O3S/c1-10-7-11(2)19-17(18-10)23-9-14(20)13-8-12-5-3-4-6-15(12)22-16(13)21/h3-8H,9H2,1-2H3