8-chloranyl-5-oxidanidyl-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 8-chloranyl-5-oxidanidyl-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-chloro-5-oxido-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-chloro-5-oxido-6-(2-pyrimidinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-chloro-5-oxido-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-chloro-5-oxido-6-(2-pyrimidyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C15H10ClN5O MolecularWeight: 311.7258

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NC=CN2C3=C(C=C(C=C3)Cl)C(=[N+]1[O-])C4=NC=CC=N4

Isomeric SMILES

C1C2=NC=CN2C3=C(C=C(C=C3)Cl)C(=[N+]1[O-])C4=NC=CC=N4

InChI

InChI=1S/C15H10ClN5O/c16-10-2-3-12-11(8-10)14(15-18-4-1-5-19-15)21(22)9-13-17-6-7-20(12)13/h1-8H,9H2