[(1R,4S)-4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]cyclobut-2-en-1-yl]methanol

Systemtic Name: [(1R,4S)-4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]cyclobut-2-en-1-yl]methanol Openeye Name: [(1R,4S)-4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]cyclobut-2-en-1-yl]methanol CAS Name: [(1R,4S)-4-[(6-chloro-5-nitro-4-pyrimidinyl)amino]-1-cyclobut-2-enyl]methanol IUPAC Name: [(1R,4S)-4-[(6-chloro-5-nitropyrimidin-4-yl)amino]cyclobut-2-en-1-yl]methanol Traditional Name: [(1R,4S)-4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]cyclobut-2-en-1-yl]methanol Formula: C9H9ClN4O3 MolecularWeight: 256.64576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C1CO)NC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C[C@@H]([C@@H]1CO)NC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H9ClN4O3/c10-8-7(14(16)17)9(12-4-11-8)13-6-2-1-5(6)3-15/h1-2,4-6,15H,3H2,(H,11,12,13)/t5-,6-/m0/s1