2-[(2-chloranyl-5-ethyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N(C1=O)CC2=CC=CC=C2C#N)Cl

Isomeric SMILES

CCC1=CN=C(N(C1=O)CC2=CC=CC=C2C#N)Cl

InChI

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