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

Systemtic Name: 5-(3-nitrophenyl)-3-(2-oxidanylidenepropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-acetonyl-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3-nitrophenyl)-3-(2-oxopropyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3-nitrophenyl)-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-acetonyl-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C15H11N3O4S MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S/c1-9(19)6-17-8-16-14-13(15(17)20)12(7-23-14)10-3-2-4-11(5-10)18(21)22/h2-5,7-8H,6H2,1H3