2-[(4-nitrophenoxy)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-nitrophenoxy)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-nitrophenoxy)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-nitrophenoxy)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-nitrophenoxy)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-nitrophenoxy)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C13H9N3O4S/c17-13-12-10(5-6-21-12)14-11(15-13)7-20-9-3-1-8(2-4-9)16(18)19/h1-6H,7H2,(H,14,15,17)