1-azanyl-2-(6-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)-5-nitro-cyclopentane-1,2,3-triol

Systemtic Name: 1-azanyl-2-(6-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)-5-nitro-cyclopentane-1,2,3-triol Openeye Name: 1-amino-2-(6-chloro-2-propylsulfanyl-pyrimidin-4-yl)-5-nitro-cyclopentane-1,2,3-triol CAS Name: 1-amino-2-[6-chloro-2-(propylthio)-4-pyrimidinyl]-5-nitrocyclopentane-1,2,3-triol IUPAC Name: 1-amino-2-(6-chloro-2-propylsulfanylpyrimidin-4-yl)-5-nitrocyclopentane-1,2,3-triol Traditional Name: 1-amino-2-[6-chloro-2-(propylthio)pyrimidin-4-yl]-5-nitro-cyclopentane-1,2,3-triol Formula: C12H17ClN4O5S MolecularWeight: 364.80518

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CC(=N1)Cl)C2(C(CC(C2(N)O)[N+](=O)[O-])O)O

Isomeric SMILES

CCCSC1=NC(=CC(=N1)Cl)C2(C(CC(C2(N)O)[N+](=O)[O-])O)O

InChI

InChI=1S/C12H17ClN4O5S/c1-2-3-23-10-15-6(4-9(13)16-10)11(19)8(18)5-7(17(21)22)12(11,14)20/h4,7-8,18-20H,2-3,5,14H2,1H3