4-azanyl-1-[(2R,5R)-5-(hydroxymethyl)-3-[(2-nitrophenyl)disulfanyl]-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2R,5R)-5-(hydroxymethyl)-3-[(2-nitrophenyl)disulfanyl]-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2-nitrophenyl)disulfanyl]tetrahydrofuran-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2-nitrophenyl)disulfanyl]-2-oxolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2-nitrophenyl)disulfanyl]oxolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2R,5R)-4-hydroxy-5-methylol-3-[(2-nitrophenyl)disulfanyl]tetrahydrofuran-2-yl]pyrimidin-2-one Formula: C15H16N4O6S2 MolecularWeight: 412.44074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SSC2C(C(OC2N3C=CC(=NC3=O)N)CO)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SSC2[C@@H](O[C@@H](C2O)CO)N3C=CC(=NC3=O)N

InChI

InChI=1S/C15H16N4O6S2/c16-11-5-6-18(15(22)17-11)14-13(12(21)9(7-20)25-14)27-26-10-4-2-1-3-8(10)19(23)24/h1-6,9,12-14,20-21H,7H2,(H2,16,17,22)/t9-,12?,13?,14-/m1/s1