(8-chloranyl-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl) ethanoate

Systemtic Name: (8-chloranyl-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl) ethanoate Openeye Name: (8-chloro-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl) acetate CAS Name: acetic acid [8-chloro-6-(2-pyrimidinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl] ester IUPAC Name: (8-chloro-6-pyrimidin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl) acetate Traditional Name: acetic acid [8-chloro-6-(2-pyrimidyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl] ester Formula: C17H12ClN5O2 MolecularWeight: 353.76248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2=NC=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=NC=CC=N4

Isomeric SMILES

CC(=O)OC1C2=NC=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=NC=CC=N4

InChI

InChI=1S/C17H12ClN5O2/c1-10(24)25-17-16-21-7-8-23(16)13-4-3-11(18)9-12(13)14(22-17)15-19-5-2-6-20-15/h2-9,17H,1H3