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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])NC2CC(C(C2O)O)O

Isomeric SMILES

CCCSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])NC2CC(C(C2O)O)O

InChI

InChI=1S/C12H17ClN4O5S/c1-2-3-23-12-15-10(13)7(17(21)22)11(16-12)14-5-4-6(18)9(20)8(5)19/h5-6,8-9,18-20H,2-4H2,1H3,(H,14,15,16)