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

Systemtic Name: 5-(3-nitrophenyl)-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3-nitrophenyl)-3-[2-oxo-2-(2-thienyl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3-nitrophenyl)-3-(2-oxo-2-thiophen-2-ylethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3-nitrophenyl)-3-(2-oxo-2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(2-thienyl)ethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H11N3O4S2 MolecularWeight: 397.42764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC=CS4

InChI

InChI=1S/C18H11N3O4S2/c22-14(15-5-2-6-26-15)8-20-10-19-17-16(18(20)23)13(9-27-17)11-3-1-4-12(7-11)21(24)25/h1-7,9-10H,8H2