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

Systemtic Name: 8-chloranyl-2-methyl-5-oxidanidyl-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-chloro-2-methyl-5-oxido-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-chloro-2-methyl-5-oxido-6-(2-pyrimidinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-chloro-2-methyl-5-oxido-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-chloro-2-methyl-5-oxido-6-(2-pyrimidyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C16H12ClN5O MolecularWeight: 325.75238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)Cl)C4=NC=CC=N4)[O-]

Isomeric SMILES

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)Cl)C4=NC=CC=N4)[O-]

InChI

InChI=1S/C16H12ClN5O/c1-10-8-21-13-4-3-11(17)7-12(13)15(16-18-5-2-6-19-16)22(23)9-14(21)20-10/h2-8H,9H2,1H3