1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-7-pyrimidin-2-yl-3,5-dihydro-2H-1,4-benzodiazepine dihydrochloride

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-7-pyrimidin-2-yl-3,5-dihydro-2H-1,4-benzodiazepine dihydrochloride Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-7-pyrimidin-2-yl-3,5-dihydro-2H-1,4-benzodiazepine dihydrochloride CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-7-(2-pyrimidinyl)-3,5-dihydro-2H-1,4-benzodiazepine dihydrochloride IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-7-pyrimidin-2-yl-3,5-dihydro-2H-1,4-benzodiazepine dihydrochloride Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-mesyl-7-(2-pyrimidyl)-3,5-dihydro-2H-1,4-benzodiazepine dihydrochloride Formula: C25H28Cl2N6O2S MolecularWeight: 547.49982

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)C3=NC=CC=N3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5.Cl.Cl

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C3=NC=CC=N3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5.Cl.Cl

InChI

InChI=1S/C25H26N6O2S.2ClH/c1-34(32,33)31-15-21-13-20(25-27-10-5-11-28-25)8-9-24(21)30(16-22-14-26-18-29-22)17-23(31)12-19-6-3-2-4-7-19;;/h2-11,13-14,18,23H,12,15-17H2,1H3,(H,26,29);2*1H