2,6-dimethyl-4-pyrimidin-5-yl-cyclopenta[b]pyrrole; zirconium(2+); dichloride

Systemtic Name: 2,6-dimethyl-4-pyrimidin-5-yl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Openeye Name: 2,6-dimethyl-4-pyrimidin-5-yl-cyclopenta[b]pyrrole; zirconium(2+); dichloride CAS Name: 2,6-dimethyl-4-(5-pyrimidinyl)cyclopenta[b]pyrrole; zirconium(2+); dichloride IUPAC Name: 2,6-dimethyl-4-pyrimidin-5-ylcyclopenta[b]pyrrole; zirconium(2+); dichloride Traditional Name: 2,6-dimethyl-4-(5-pyrimidyl)cyclopenta[b]pyrrole; zirconium(2+); dichloride Formula: C26H22Cl2N6Zr MolecularWeight: 580.62308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C1=NC(=C2)C)C3=CN=CN=C3.CC1=CC(=C2C1=NC(=C2)C)C3=CN=CN=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC1=CC(=C2C1=NC(=C2)C)C3=CN=CN=C3.CC1=CC(=C2C1=NC(=C2)C)C3=CN=CN=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C13H11N3.2ClH.Zr/c2*1-8-3-11(10-5-14-7-15-6-10)12-4-9(2)16-13(8)12;;;/h2*3-7H,1-2H3;2*1H;/q;;;;+2/p-2