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

Systemtic Name: 6-oxidanylidene-2-(4-pentoxyphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-oxo-2-(4-pentoxyphenyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-oxo-2-(4-pentoxyphenyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-oxo-2-(4-pentoxyphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-amoxyphenyl)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2/c1-2-3-4-9-21-14-7-5-12(6-8-14)15-18-11-13(10-17)16(20)19-15/h5-8,11H,2-4,9H2,1H3,(H,18,19,20)