2-(chloromethyl)-5-(4-nitrophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(chloromethyl)-5-(4-nitrophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(chloromethyl)-5-(4-nitrophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(chloromethyl)-5-(4-nitrophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(chloromethyl)-5-(4-nitrophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(chloromethyl)-5-(4-nitrophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C13H8ClN3O3S MolecularWeight: 321.73892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)CCl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)CCl)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClN3O3S/c14-5-10-15-12(18)11-9(6-21-13(11)16-10)7-1-3-8(4-2-7)17(19)20/h1-4,6H,5H2,(H,15,16,18)