5-(2,3-dinitrophenyl)-1-[4-oxidanyl-5-(sulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 5-(2,3-dinitrophenyl)-1-[4-oxidanyl-5-(sulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 5-(2,3-dinitrophenyl)-1-[4-hydroxy-5-(sulfanylmethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione CAS Name: 5-(2,3-dinitrophenyl)-1-[4-hydroxy-5-(mercaptomethyl)-2-oxolanyl]pyrimidine-2,4-dione IUPAC Name: 5-(2,3-dinitrophenyl)-1-[4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione Traditional Name: 5-(2,3-dinitrophenyl)-1-[4-hydroxy-5-(mercaptomethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C15H14N4O8S MolecularWeight: 410.35866

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)C3=C(C(=CC=C3)[N+](=O)[O-])[N+](=O)[O-])CS)O

Isomeric SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)C3=C(C(=CC=C3)[N+](=O)[O-])[N+](=O)[O-])CS)O

InChI

InChI=1S/C15H14N4O8S/c20-10-4-12(27-11(10)6-28)17-5-8(14(21)16-15(17)22)7-2-1-3-9(18(23)24)13(7)19(25)26/h1-3,5,10-12,20,28H,4,6H2,(H,16,21,22)