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

Systemtic Name: 2-(4-pentoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 2-(4-pentoxyphenyl)pyrimidine-5-carbonitrile CAS Name: 2-(4-pentoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-pentoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-amoxyphenyl)pyrimidine-5-carbonitrile Formula: C16H17N3O MolecularWeight: 267.32568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O/c1-2-3-4-9-20-15-7-5-14(6-8-15)16-18-11-13(10-17)12-19-16/h5-8,11-12H,2-4,9H2,1H3