1-[(3-chlorophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 1-[(3-chlorophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 1-[(3-chlorophenyl)methyl]-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 1-[(3-chlorophenyl)methyl]-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 1-[(3-chlorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 1-(3-chlorobenzyl)-2,4-diketo-pyrimidine-5-carbonitrile Formula: C12H8ClN3O2 MolecularWeight: 261.66382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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