2-[(1S,3S,4S,5S)-3-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]-4-bicyclo[3.1.0]hexanyl]ethanol

Systemtic Name: 2-[(1S,3S,4S,5S)-3-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]-4-bicyclo[3.1.0]hexanyl]ethanol Openeye Name: 2-[(1S,3S,4S,5S)-3-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]-4-bicyclo[3.1.0]hexanyl]ethanol CAS Name: 2-[(1S,3S,4S,5S)-3-[(6-chloro-5-nitro-4-pyrimidinyl)amino]-4-bicyclo[3.1.0]hexanyl]ethanol IUPAC Name: 2-[(1S,3S,4S,5S)-3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-4-bicyclo[3.1.0]hexanyl]ethanol Traditional Name: 2-[(1S,3S,4S,5S)-3-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]-4-bicyclo[3.1.0]hexanyl]ethanol Formula: C12H15ClN4O3 MolecularWeight: 298.7255

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C1C(C(C2)NC3=C(C(=NC=N3)Cl)[N+](=O)[O-])CCO

Isomeric SMILES

C1[C@@H]2[C@H]1[C@@H]([C@H](C2)NC3=C(C(=NC=N3)Cl)[N+](=O)[O-])CCO

InChI

InChI=1S/C12H15ClN4O3/c13-11-10(17(19)20)12(15-5-14-11)16-9-4-6-3-8(6)7(9)1-2-18/h5-9,18H,1-4H2,(H,14,15,16)/t6-,7-,8-,9-/m0/s1