4-chloranyl-5-pentyl-2-pyridin-2-yl-pyrimidine; methanal; rhenium

Systemtic Name: 4-chloranyl-5-pentyl-2-pyridin-2-yl-pyrimidine; methanal; rhenium Openeye Name: 4-chloro-5-pentyl-2-(2-pyridyl)pyrimidine; formaldehyde; rhenium CAS Name: 4-chloro-5-pentyl-2-(2-pyridinyl)pyrimidine; formaldehyde; rhenium IUPAC Name: 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine; formaldehyde; rhenium Traditional Name: 5-amyl-4-chloro-2-(2-pyridyl)pyrimidine; formaldehyde; rhenium Formula: C17H22ClN3O3Re MolecularWeight: 538.03488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1Cl)C2=CC=CC=N2.C=O.C=O.C=O.[Re]

Isomeric SMILES

CCCCCC1=CN=C(N=C1Cl)C2=CC=CC=N2.C=O.C=O.C=O.[Re]

InChI

InChI=1S/C14H16ClN3.3CH2O.Re/c1-2-3-4-7-11-10-17-14(18-13(11)15)12-8-5-6-9-16-12;3*1-2;/h5-6,8-10H,2-4,7H2,1H3;3*1H2;