3-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]pentane-2,4-dione Openeye Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]pentane-2,4-dione CAS Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]pentane-2,4-dione IUPAC Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]pentane-2,4-dione Traditional Name: 3-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]pentane-2,4-dione Formula: C17H14N2O3S2 MolecularWeight: 358.43466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C17H14N2O3S2/c1-9(20)14(10(2)21)24-17-18-15(22)13-12(8-23-16(13)19-17)11-6-4-3-5-7-11/h3-8,14H,1-2H3,(H,18,19,22)