2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c19-13(9-4-6-10(7-5-9)18(21)22)8-23-15-16-12-3-1-2-11(12)14(20)17-15/h4-7H,1-3,8H2,(H,16,17,20)