2,5-dimethyl-7-oxidanylidene-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 2,5-dimethyl-7-oxidanylidene-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 6-benzyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 2,5-dimethyl-7-oxo-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 6-benzyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 6-benzyl-7-keto-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C16H14N4O MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C#N

InChI

InChI=1S/C16H14N4O/c1-10-13(8-12-6-4-3-5-7-12)16(21)20-15(18-10)14(9-17)11(2)19-20/h3-7,19H,8H2,1-2H3