3-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylpentane-2,4-dione

Systemtic Name: 3-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylpentane-2,4-dione Openeye Name: 3-[4-(3-pyridyl)pyrimidin-2-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[4-(3-pyridinyl)-2-pyrimidinyl]thio]pentane-2,4-dione IUPAC Name: 3-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylpentane-2,4-dione Traditional Name: 3-[[4-(3-pyridyl)pyrimidin-2-yl]thio]pentane-2,4-dione Formula: C14H13N3O2S MolecularWeight: 287.33692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC=CC(=N1)C2=CN=CC=C2

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC=CC(=N1)C2=CN=CC=C2

InChI

InChI=1S/C14H13N3O2S/c1-9(18)13(10(2)19)20-14-16-7-5-12(17-14)11-4-3-6-15-8-11/h3-8,13H,1-2H3