2-(4-hexoxyphenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-hexoxyphenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-hexoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-hexoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-hexoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-hexoxyphenyl)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C#N

InChI

InChI=1S/C17H19N3O2/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)16-19-12-14(11-18)17(21)20-16/h6-9,12H,2-5,10H2,1H3,(H,19,20,21)