1-[(2R,5S)-5-(hydroxymethyl)-3-(4-nitrophenyl)sulfanylsulfinyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,5S)-5-(hydroxymethyl)-3-(4-nitrophenyl)sulfanylsulfinyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,5S)-5-(hydroxymethyl)-3-(4-nitrophenyl)sulfanylsulfinyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,5S)-5-(hydroxymethyl)-3-[(4-nitrophenyl)thio]sulfinyl-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-3-(4-nitrophenyl)sulfanylsulfinyloxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 5-methyl-1-[(2R,5S)-5-methylol-3-[(4-nitrophenyl)thio]sulfinyl-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C16H17N3O7S2 MolecularWeight: 427.45208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C(CC(O2)CO)S(=O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C(C[C@H](O2)CO)S(=O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O7S2/c1-9-7-18(16(22)17-14(9)21)15-13(6-11(8-20)26-15)28(25)27-12-4-2-10(3-5-12)19(23)24/h2-5,7,11,13,15,20H,6,8H2,1H3,(H,17,21,22)/t11-,13?,15+,28?/m0/s1