3-imidazol-1-yl-2-phenyl-2-pyrimidin-4-yl-propanenitrile

Systemtic Name: 3-imidazol-1-yl-2-phenyl-2-pyrimidin-4-yl-propanenitrile Openeye Name: 3-imidazol-1-yl-2-phenyl-2-pyrimidin-4-yl-propanenitrile CAS Name: 3-(1-imidazolyl)-2-phenyl-2-(4-pyrimidinyl)propanenitrile IUPAC Name: 3-imidazol-1-yl-2-phenyl-2-pyrimidin-4-ylpropanenitrile Traditional Name: 3-imidazol-1-yl-2-phenyl-2-(4-pyrimidyl)propionitrile Formula: C16H13N5 MolecularWeight: 275.30792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C=CN=C2)(C#N)C3=NC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C=CN=C2)(C#N)C3=NC=NC=C3

InChI

InChI=1S/C16H13N5/c17-10-16(11-21-9-8-19-13-21,14-4-2-1-3-5-14)15-6-7-18-12-20-15/h1-9,12-13H,11H2