6-(3,5-dimethyl-4-oxidanyl-phenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3,5-dimethyl-4-oxidanyl-phenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-hydroxy-3,5-dimethyl-phenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-hydroxy-3,5-dimethylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-hydroxy-3,5-dimethylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-hydroxy-3,5-dimethyl-phenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2=C(C(=O)N=CN2)C#N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C2=C(C(=O)N=CN2)C#N

InChI

InChI=1S/C13H11N3O2/c1-7-3-9(4-8(2)12(7)17)11-10(5-14)13(18)16-6-15-11/h3-4,6,17H,1-2H3,(H,15,16,18)