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

Systemtic Name: 4-chloranyl-2-(4-pentoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 4-chloro-2-(4-pentoxyphenyl)pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-(4-pentoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-2-(4-pentoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-amoxyphenyl)-4-chloro-pyrimidine-5-carbonitrile Formula: C16H16ClN3O MolecularWeight: 301.77074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C#N

InChI

InChI=1S/C16H16ClN3O/c1-2-3-4-9-21-14-7-5-12(6-8-14)16-19-11-13(10-18)15(17)20-16/h5-8,11H,2-4,9H2,1H3