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

Systemtic Name: 8-chloranyl-1,2-dimethyl-5-oxidanidyl-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-chloro-1,2-dimethyl-5-oxido-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-chloro-1,2-dimethyl-5-oxido-6-(2-pyrimidinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-chloro-1,2-dimethyl-5-oxido-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-chloro-1,2-dimethyl-5-oxido-6-(2-pyrimidyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C17H14ClN5O MolecularWeight: 339.77896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)Cl)C4=NC=CC=N4)[O-])C

Isomeric SMILES

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)Cl)C4=NC=CC=N4)[O-])C

InChI

InChI=1S/C17H14ClN5O/c1-10-11(2)23-14-5-4-12(18)8-13(14)16(17-19-6-3-7-20-17)22(24)9-15(23)21-10/h3-8H,9H2,1-2H3