2-(4-phenylphenyl)-5-propyl-pyrimidine ethanoate

Systemtic Name: 2-(4-phenylphenyl)-5-propyl-pyrimidine ethanoate Openeye Name: 2-(4-phenylphenyl)-5-propyl-pyrimidine acetate CAS Name: 2-(4-phenylphenyl)-5-propylpyrimidine acetate IUPAC Name: 2-(4-phenylphenyl)-5-propylpyrimidine acetate Traditional Name: 2-(4-phenylphenyl)-5-propyl-pyrimidine acetate Formula: C21H21N2O2- MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=CC=C3.CC(=O)[O-]

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=CC=C3.CC(=O)[O-]

InChI

InChI=1S/C19H18N2.C2H4O2/c1-2-6-15-13-20-19(21-14-15)18-11-9-17(10-12-18)16-7-4-3-5-8-16;1-2(3)4/h3-5,7-14H,2,6H2,1H3;1H3,(H,3,4)/p-1