4-chloranyl-2-(4-pentylphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-2-(4-pentylphenyl)pyrimidine-5-carbonitrile Openeye Name: 4-chloro-2-(4-pentylphenyl)pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-(4-pentylphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-2-(4-pentylphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-amylphenyl)-4-chloro-pyrimidine-5-carbonitrile Formula: C16H16ClN3 MolecularWeight: 285.77134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C#N

InChI

InChI=1S/C16H16ClN3/c1-2-3-4-5-12-6-8-13(9-7-12)16-19-11-14(10-18)15(17)20-16/h6-9,11H,2-5H2,1H3