5-(2-azanylpyrimidin-4-yl)-N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]thiophene-2-carboxamide

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]thiophene-2-carboxamide Openeye Name: 5-(2-aminopyrimidin-4-yl)-N-[(4-chloro-2-fluoro-phenyl)methyl]thiophene-2-carboxamide CAS Name: 5-(2-amino-4-pyrimidinyl)-N-[(4-chloro-2-fluorophenyl)methyl]-2-thiophenecarboxamide IUPAC Name: 5-(2-aminopyrimidin-4-yl)-N-[(4-chloro-2-fluorophenyl)methyl]thiophene-2-carboxamide Traditional Name: 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-2-fluoro-benzyl)thiophene-2-carboxamide Formula: C16H12ClFN4OS MolecularWeight: 362.809083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)F)CNC(=O)C2=CC=C(S2)C3=NC(=NC=C3)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)F)CNC(=O)C2=CC=C(S2)C3=NC(=NC=C3)N

InChI

InChI=1S/C16H12ClFN4OS/c17-10-2-1-9(11(18)7-10)8-21-15(23)14-4-3-13(24-14)12-5-6-20-16(19)22-12/h1-7H,8H2,(H,21,23)(H2,19,20,22)