N4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N6-(phenylmethyl)pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N6-(phenylmethyl)pyrimidine-4,6-dicarboxamide Openeye Name: N6-benzyl-N4-[(3-chloro-4-fluoro-phenyl)methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-[(3-chloro-4-fluorophenyl)methyl]-N6-(phenylmethyl)pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-benzyl-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N'-benzyl-N-(3-chloro-4-fluoro-benzyl)pyrimidine-4,6-dicarboxamide Formula: C20H16ClFN4O2 MolecularWeight: 398.818043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H16ClFN4O2/c21-15-8-14(6-7-16(15)22)11-24-20(28)18-9-17(25-12-26-18)19(27)23-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,23,27)(H,24,28)