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

Systemtic Name: 2-[[6-chloranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(6-chloro-2,4-dioxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 2-[(6-chloro-2,4-dioxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(6-chloro-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 2-[(6-chloro-2,4-diketo-pyrimidin-1-yl)methyl]benzonitrile Formula: C12H8ClN3O2 MolecularWeight: 261.66382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=CC(=O)NC2=O)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=CC(=O)NC2=O)Cl)C#N

InChI

InChI=1S/C12H8ClN3O2/c13-10-5-11(17)15-12(18)16(10)7-9-4-2-1-3-8(9)6-14/h1-5H,7H2,(H,15,17,18)