3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3-nitrophenyl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3-nitrophenyl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(3-nitrophenyl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(3-nitrophenyl)ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H13N3O4S MolecularWeight: 391.39992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O4S/c24-17(14-7-4-8-15(9-14)23(26)27)10-22-12-21-19-18(20(22)25)16(11-28-19)13-5-2-1-3-6-13/h1-9,11-12H,10H2