2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-nitro-2-oxo-1-pyridyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(5-nitro-2-oxo-1-pyridinyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-nitro-2-oxopyridin-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-5-nitro-1-pyridyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CN4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CN4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4S/c23-15-7-6-12(22(25)26)8-21(15)9-14-19-17(24)16-13(10-27-18(16)20-14)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20,24)