3-(5-methyl-7-oxidanylidene-2-phenyl-pyrazolo[1,5-a]pyrimidin-4-yl)propanenitrile

Systemtic Name: 3-(5-methyl-7-oxidanylidene-2-phenyl-pyrazolo[1,5-a]pyrimidin-4-yl)propanenitrile Openeye Name: 3-(5-methyl-7-oxo-2-phenyl-pyrazolo[1,5-a]pyrimidin-4-yl)propanenitrile CAS Name: 3-(5-methyl-7-oxo-2-phenyl-4-pyrazolo[1,5-a]pyrimidinyl)propanenitrile IUPAC Name: 3-(5-methyl-7-oxo-2-phenylpyrazolo[1,5-a]pyrimidin-4-yl)propanenitrile Traditional Name: 3-(7-keto-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-4-yl)propionitrile Formula: C16H14N4O MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=CC(=N2)C3=CC=CC=C3)N1CCC#N

Isomeric SMILES

CC1=CC(=O)N2C(=CC(=N2)C3=CC=CC=C3)N1CCC#N

InChI

InChI=1S/C16H14N4O/c1-12-10-16(21)20-15(19(12)9-5-8-17)11-14(18-20)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,9H2,1H3