2-[4-[(4-chloranyl-6-ethyl-2-methyl-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-chloranyl-6-ethyl-2-methyl-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-chloro-6-ethyl-2-methyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-chloro-6-ethyl-2-methyl-5-pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-chloro-6-ethyl-2-methyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C21H18ClN3 MolecularWeight: 347.84072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H18ClN3/c1-3-20-19(21(22)25-14(2)24-20)12-15-8-10-16(11-9-15)18-7-5-4-6-17(18)13-23/h4-11H,3,12H2,1-2H3