5-(3-nitrophenyl)-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3-nitrophenyl)-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1-methyl-2-oxo-propyl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3-nitrophenyl)-3-(3-oxobutan-2-yl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3-nitrophenyl)-3-(3-oxobutan-2-yl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-keto-1-methyl-propyl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-9(10(2)20)18-8-17-15-14(16(18)21)13(7-24-15)11-4-3-5-12(6-11)19(22)23/h3-9H,1-2H3