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

Systemtic Name: 2-[(4-chloranyl-1-methyl-6-oxidanylidene-pyrimidin-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-chloro-1-methyl-6-oxo-pyrimidin-5-yl)methyl]benzonitrile CAS Name: 2-[(4-chloro-1-methyl-6-oxo-5-pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(4-chloro-1-methyl-6-oxopyrimidin-5-yl)methyl]benzonitrile Traditional Name: 2-[(4-chloro-6-keto-1-methyl-pyrimidin-5-yl)methyl]benzonitrile Formula: C13H10ClN3O MolecularWeight: 259.691

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C(C1=O)CC2=CC=CC=C2C#N)Cl

Isomeric SMILES

CN1C=NC(=C(C1=O)CC2=CC=CC=C2C#N)Cl

InChI

InChI=1S/C13H10ClN3O/c1-17-8-16-12(14)11(13(17)18)6-9-4-2-3-5-10(9)7-15/h2-5,8H,6H2,1H3