2-[(2-chloranyl-4,5-dimethyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-chloranyl-4,5-dimethyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-chloro-4,5-dimethyl-6-oxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 2-[(2-chloro-4,5-dimethyl-6-oxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(2-chloro-4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 2-[(2-chloro-6-keto-4,5-dimethyl-pyrimidin-1-yl)methyl]benzonitrile Formula: C14H12ClN3O MolecularWeight: 273.71758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2C#N)Cl)C

Isomeric SMILES

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2C#N)Cl)C

InChI

InChI=1S/C14H12ClN3O/c1-9-10(2)17-14(15)18(13(9)19)8-12-6-4-3-5-11(12)7-16/h3-6H,8H2,1-2H3